Marvin  10130617312D          
                
  6  6  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6673   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  1   1   1
M  END
> <ID>
CHEBI:27435

> <NAME>
1-methylpyrrolinium

> <DEFINITION>
An organic cation that is 1-pyrroline bearing an N-methyl substituent.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:647; CHEBI:19069

> <SYNONYM>
N-methylpyrrolinium; 1-Methylpyrrolinium; 1-methyl-Delta(1)-pyrrolinium

> <IUPAC_NAME>
1-methyl-3,4-dihydro-2H-pyrrolium

> <FORMULA>
C5H10N

> <MASS>
84.13964

> <MONOISOTOPIC_MASS>
84.08078

> <CHARGE>
1

> <SMILES>
C[N+]1=CCCC1

> <INCHI>
InChI=1S/C5H10N/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3/q+1

> <INCHIKEY>
FDWZAOGDOVQOLD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
16032-02-3

> <REAXYS_REGISTRY_NUMBER>
1634266

> <CHEMIDPLUS>
16032-02-3

> <KEGG_COMPOUND_ACCESSION>
C06178

> <PUBMED_CITATION>
19002761; 21343426

$$$$