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

Systemtic Name: 2-[[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(3-acetylphenyl)sulfonylpiperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H23N4O4S+ MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C21H22N4O4S/c1-16(26)17-5-4-6-19(13-17)30(28,29)24-11-9-23(10-12-24)15-18-14-21(27)25-8-3-2-7-20(25)22-18/h2-8,13-14H,9-12,15H2,1H3/p+1