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cotinine methonium ion

MNXM16854 is deprecated and here replaced by MNXM731440
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM731440 Image of MNXM731440
referencemetacycM:CPD-3184
formulaC11H15N2O
global charge1
mol weight191.254
InChIKeyVHRXFWHPQMABEK-JTQLQIEISA-N
InChIInChI=1S/C11H15N2O/c1-12-7-3-4-9(8-12)10-5-6-11(14)13(10)2/h3-4,7-8,10H,5-6H2,1-2H3/q+1/t10-/m0/s1
SMILESCN1C(=O)CC[C@H]1C1=C[N+](C)=CC=C1
MNX internals
InChI (mnx)InChI=1/C11H15N2O/c1-12-7-3-4-9(8-12)10-5-6-11(14)13(10)2/h3-4,7-8,10H,5-6H2,1-2H3/q+1/t10-/m0/s1 Image of MNXM731440
SMILES (mnx)[CH3:1][N+:12]1=[CH:7][CH:3]=[CH:4][C:9]([C@@H:10]2[CH2:5][CH2:6][C:11](=[O:14])[N:13]2[CH3:2])=[CH:8]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-3184
metacycM:CPD-3184
VHRXFWHPQMABEK-JTQLQIEISA-N 		cotinine methonium ion
N-methylcotininium ion
hmdb:HMDB0001365
VHRXFWHPQMABEK-JTQLQIEISA-N 		Cotinine methonium ion
1-methyl-3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium
N-Methylcotininium ion
cotinine methonium ion

seed.compound:cpd24396
seedM:cpd24396
VHRXFWHPQMABEK-JTQLQIEISA-N 		N-methylcotininium ion
cotinine methonium ion

hmdb:HMDB01365
seedM:M_cpd24396 		secondary/obsolete/fantasy identifier