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

Systemtic Name: 2-[[4-(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H22N6O2+2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C21H20N6O2/c28-20-13-19(24-18-7-3-4-8-27(18)20)26-11-9-25(10-12-26)14-17-22-16-6-2-1-5-15(16)21(29)23-17/h1-8,13H,9-12,14H2,(H,22,23,29)/p+2