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

Systemtic Name: 2-[[4-(benzimidazol-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(benzimidazol-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(1-benzimidazolylmethyl)-1-piperazin-1-iumyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(benzimidazol-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(benzimidazol-1-ylmethyl)piperazin-1-ium-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H24N6O+2 MolecularWeight: 376.45486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=CC=CC=C3N2)CN4C=NC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)[N+]3=CC=CC=C3N2)CN4C=NC5=CC=CC=C54

InChI

InChI=1S/C21H22N6O/c28-21-13-17(23-20-7-3-4-8-27(20)21)14-24-9-11-25(12-10-24)16-26-15-22-18-5-1-2-6-19(18)26/h1-8,13,15H,9-12,14,16H2/p+2