Nicotine iminium

3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine

Also Known As: nicotine iminium|nicotine imine|11C-nicotine imine|nicotine-Delta1'5'-iminium ion|CPD-3186|Nicotine-delta 1' (5') Iminium Ion|(S)-1-(methylene-11C)-2-(3-pyridinyl)pyrrolidinium|3-[(2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl]pyridine|(2S)-1-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-pyrrol-1-ium|2H-Pyrrolium, 3,4-dihydro-1-methyl-2-(3-pyridinyl)-, (S)-|pyrrolidium, 1-(methylene-11C)-2-(3-pyridinyl)-, (S)-|(2S)-1-Methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-pyrrolium|3-((2S)-1-methyl-3,4-dihydro-2H-pyrrol-1-ium-2-yl)pyridine|[(S)-3,4-Dihydro-1-methyl-2alpha-(pyridin-3-yl)-2H-pyrrol]-1-ium

Molecular Formula	C10H13N2+
Molecular Weight	161.10788 g/mol
LogP	0.2
Topological Polar Surface Area	15.9 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	1
Rotatable Bonds	1
Exact Mass	161.10788
Monoisotopic Mass	161.10788
Heavy Atoms	12
Complexity	186.0

Chemical Identifiers

CAS Number	42459-13-2
SMILES	C[N+]1=CCC[C@H]1C2=CN=CC=C2
InChIKey	GTQXYYYOJZZJHL-JTQLQIEISA-N