2-[(2-piperidin-1-ylsulfonylphenyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(2-piperidin-1-ylsulfonylphenyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[2-(1-piperidylsulfonyl)phenyl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[2-(1-piperidinylsulfonyl)phenyl]methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2-piperidin-1-ylsulfonylphenyl)methylamino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(2-piperidinosulfonylbenzyl)amino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CNC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2CNC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4O3S/c25-20-14-18(22-19-10-4-7-13-24(19)20)21-15-16-8-2-3-9-17(16)28(26,27)23-11-5-1-6-12-23/h2-4,7-10,13-14H,1,5-6,11-12,15H2,(H,21,25)/p+1