Marvin  09131013072D          

 13 13  0  0  1  0            999 V2000
    4.3376   -4.1971    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0408   -4.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0408   -5.4309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3376   -5.8382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219   -5.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219   -4.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7565   -5.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7565   -6.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4720   -5.4309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1866   -5.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9011   -5.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1866   -6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9011   -6.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  7  1  6  0  0  0
  5  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  CHG  1   1   1
M  END
> <ID>
CHEBI:60254

> <NAME>
(3R)-3-(tert-butylcarbamoyl)piperazin-1-ium

> <DEFINITION>
The cation resulting from the protonation of the amino group at the 4 position of (R)-N-tert-butylpiperazine-2-carboxamide.

> <STAR>
3

> <SYNONYM>
(R)-N-tert-butylpiperazine-2-carboxamide

> <IUPAC_NAME>
(3R)-3-(tert-butylcarbamoyl)piperazin-1-ium

> <FORMULA>
C9H20N3O

> <MASS>
186.27460

> <MONOISOTOPIC_MASS>
186.16009

> <CHARGE>
1

> <SMILES>
CC(C)(C)NC(=O)[C@H]1C[NH2+]CCN1

> <INCHI>
InChI=1S/C9H19N3O/c1-9(2,3)12-8(13)7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3,(H,12,13)/p+1/t7-/m1/s1

> <INCHIKEY>
OEZDMLLCIUSINT-SSDOTTSWSA-O

$$$$