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

Systemtic Name: 2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[4-(3-acetylphenyl)sulfonylpiperazino]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H21N4O4S+ MolecularWeight: 413.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C20H20N4O4S/c1-15(25)16-5-4-6-17(13-16)29(27,28)23-11-9-22(10-12-23)19-14-20(26)24-8-3-2-7-18(24)21-19/h2-8,13-14H,9-12H2,1H3/p+1