Marvin  03190911572D          

 28 33  0  0  0  0            999 V2000
   -1.9418   -0.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273   -0.9969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128   -0.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273    0.6531    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -1.9418    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562    0.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3708   -0.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562   -0.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3706   -2.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562   -1.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0852   -0.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0851   -1.8220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017   -0.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9161   -0.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9161    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017    0.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6306   -0.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451   -0.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6306    0.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6306    1.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9161    1.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2017    1.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0852    0.6531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7997    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5142    0.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 10  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 12 10  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 13 14  2  0  0  0  0
 18  4  1  0  0  0  0
  3  4  1  0  0  0  0
 15  3  1  0  0  0  0
 15 16  2  0  0  0  0
 17 16  1  0  0  0  0
 19 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 25 18  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  CHG  1   5   1
M  END
> <ID>
CHEBI:52185

> <NAME>
oxazine-750

> <STAR>
3

> <SYNONYM>
Oxazine 750; Oxazin 750; OX750

> <IUPAC_NAME>
14-(ethylamino)-2,3,6,7-tetrahydro-1H,5H-benzo[a]quinolizino[1,9-hi]phenoxazin-16-ium

> <FORMULA>
C24H24N3O

> <MASS>
370.46690

> <MONOISOTOPIC_MASS>
370.19139

> <CHARGE>
1

> <SMILES>
CCNc1cc2[o+]c3c4CCCN5CCCc(cc3nc2c2ccccc12)c45

> <INCHI>
InChI=1S/C24H24N3O/c1-2-25-19-14-21-22(17-9-4-3-8-16(17)19)26-20-13-15-7-5-11-27-12-6-10-18(23(15)27)24(20)28-21/h3-4,8-9,13-14,25H,2,5-7,10-12H2,1H3/q+1

> <INCHIKEY>
CIYKWVNUXJDNNK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
67556-77-8

> <CHEMIDPLUS>
67556-77-8

$$$$