Marvin  04221009252D          

 12 10  0  0  1  0            999 V2000
    3.8475   -3.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   -3.2684    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5619   -3.2684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4188   -2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2764   -3.6826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5619   -2.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9866   -3.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7011   -3.6826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9866   -2.4441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332   -2.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4188   -3.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -4.5868    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  1  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  CHG  2   2   1  12  -1
M  END
> <ID>
CHEBI:59262

> <NAME>
(R)-bethanechol chloride

> <DEFINITION>
The (R)-enantiomer of bethanechol chloride.

> <STAR>
3

> <SYNONYM>
(R)-carbamoyl-beta-methylcholine chloride; (R)-2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride; (R)-(-)-carbamoyl-beta-methylcholine chloride; (-)-carbamoyl-beta-methylcholine chloride

> <IUPAC_NAME>
(2R)-2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride

> <FORMULA>
C7H17ClN2O2

> <MASS>
196.67500

> <MONOISOTOPIC_MASS>
196.09786

> <CHARGE>
0

> <SMILES>
[Cl-].C[C@H](C[N+](C)(C)C)OC(N)=O

> <INCHI>
InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H/t6-;/m1./s1

> <INCHIKEY>
XXRMYXBSBOVVBH-FYZOBXCZSA-N

> <DRUGBANK_ACCESSION>
DB01019

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