2-[4-(1H-indol-3-yl)piperidin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(1H-indol-3-yl)-1-piperidyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(1H-indol-3-yl)-1-piperidinyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(1H-indol-3-yl)piperidin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(1H-indol-3-yl)piperidino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H21N4O+ MolecularWeight: 345.41764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=CC=CC=C32)C4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCC1C2=CNC3=CC=CC=C32)C4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C21H20N4O/c26-21-13-20(23-19-7-3-4-10-25(19)21)24-11-8-15(9-12-24)17-14-22-18-6-2-1-5-16(17)18/h1-7,10,13-15,22H,8-9,11-12H2/p+1