1-(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperidine-4-carboxamide CAS Name: 1-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)isonipecotamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O2/c26-20-14-19(23-18-8-4-5-11-25(18)20)24-12-9-17(10-13-24)21(27)22-15-16-6-2-1-3-7-16/h1-8,11,14,17H,9-10,12-13,15H2,(H,22,27)/p+1