2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C20H26N4O2/c25-19-15-18(21-17-7-3-6-12-24(17)19)22-13-8-16(9-14-22)20(26)23-10-4-1-2-5-11-23/h3,6-7,12,15-16H,1-2,4-5,8-11,13-14H2/p+1