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

Systemtic Name: 2-[[4-(1H-indazol-3-ylcarbonyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[1H-indazol-3-yl(oxo)methyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(1H-indazole-3-carbonyl)piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H21N6O2+ MolecularWeight: 389.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=NNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=NNC5=CC=CC=C54

InChI

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