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

Systemtic Name: 2-[[4-(4-morpholin-4-yl-3-nitro-phenyl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(4-morpholino-3-nitro-benzoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(4-morpholin-4-yl-3-nitrobenzoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(4-morpholino-3-nitro-benzoyl)piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C24H27N6O5+ MolecularWeight: 479.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O5/c31-23-16-19(25-22-3-1-2-6-29(22)23)17-26-7-9-28(10-8-26)24(32)18-4-5-20(21(15-18)30(33)34)27-11-13-35-14-12-27/h1-6,15-16H,7-14,17H2/p+1