Mrv0541 04131510532D          

 13 14  0  0  1  0            999 V2000
   17.3779   -6.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0925   -6.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0925   -7.6721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3779   -7.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8069   -6.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8069   -7.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1909   -6.5048    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.7741   -5.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5991   -5.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1936   -7.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8567   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5218   -6.0221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.7267   -5.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  4  2  0  0  0  0
  3  4  1  0  0  0  0
  5  2  2  0  0  0  0
 12  5  1  0  0  0  0
  6  5  1  0  0  0  0
  3  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  1  0  0  0  0
 10  7  1  0  0  0  0
 12  8  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  1  0  0  0
M  CHG  1   7   1
M  END
> <ID>
CHEBI:59806

> <NAME>
(S)-nicotinium(1+)

> <DEFINITION>
The conjugate acid of (S)-nicotine arising from selective protonation of the tertiary amino group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
(S)-nicotinium cation; (S)-nicotine

> <IUPAC_NAME>
(2S)-1-methyl-2-(pyridin-3-yl)pyrrolidinium

> <FORMULA>
C10H15N2

> <MASS>
163.23900

> <MONOISOTOPIC_MASS>
163.12297

> <CHARGE>
1

> <SMILES>
C[NH+]1CCC[C@H]1c1cccnc1

> <INCHI>
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/p+1/t10-/m0/s1

> <INCHIKEY>
SNICXCGAKADSCV-JTQLQIEISA-O

> <GMELIN_REGISTRY_NUMBER>
329042

> <METACYC_ACCESSION>
NICOTINE

$$$$