2-[[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-[1-(3-pyridylsulfonyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[oxo-[1-(3-pyridinylsulfonyl)-4-piperidinyl]methyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-[1-(3-pyridylsulfonyl)isonipecotoyl]piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C24H29N6O4S+ MolecularWeight: 497.58986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3)S(=O)(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3)S(=O)(=O)C5=CN=CC=C5

InChI

InChI=1S/C24H28N6O4S/c31-23-16-20(26-22-5-1-2-9-30(22)23)18-27-12-14-28(15-13-27)24(32)19-6-10-29(11-7-19)35(33,34)21-4-3-8-25-17-21/h1-5,8-9,16-17,19H,6-7,10-15,18H2/p+1