2-[[4-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(3-nitro-4-pyrrolidin-1-yl-benzoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(3-nitro-4-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(3-nitro-4-pyrrolidino-benzoyl)piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C24H27N6O4+ MolecularWeight: 463.50898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=O)[N+]5=CC=CC=C5N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC(=O)[N+]5=CC=CC=C5N4)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O4/c31-23-16-19(25-22-5-1-2-10-29(22)23)17-26-11-13-28(14-12-26)24(32)18-6-7-20(21(15-18)30(33)34)27-8-3-4-9-27/h1-2,5-7,10,15-16H,3-4,8-9,11-14,17H2/p+1