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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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