1-(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(3-nitro-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperidine-4-carboxamide CAS Name: 1-(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(3-nitro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-(4-keto-3-nitro-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)isonipecotamide Formula: C21H22N5O4+ MolecularWeight: 408.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c27-20(22-14-15-6-2-1-3-7-15)16-9-12-24(13-10-16)19-18(26(29)30)21(28)25-11-5-4-8-17(25)23-19/h1-8,11,16H,9-10,12-14H2,(H,22,27)/p+1