2-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(3-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(3-nitro-2-pyridinyl)-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(3-nitropyridin-2-yl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(3-nitro-2-pyridyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H20N6O3+2 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=CC=CC=C3N2)C4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=CC=CC=C3N2)C4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3/c25-17-12-14(20-16-5-1-2-7-23(16)17)13-21-8-10-22(11-9-21)18-15(24(26)27)4-3-6-19-18/h1-7,12H,8-11,13H2/p+2