2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H24N4O+2 MolecularWeight: 336.43076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O/c25-20-13-18(22-19-9-3-4-12-24(19)20)21-14-16-7-1-2-8-17(16)15-23-10-5-6-11-23/h1-4,7-9,12-13H,5-6,10-11,14-15H2,(H,21,25)/p+2