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

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)N4C=CC=CC4=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=O)N4C=CC=CC4=N3)C

InChI

InChI=1S/C21H24N4O3S/c1-16-6-7-19(13-17(16)2)29(27,28)24-11-9-23(10-12-24)15-18-14-21(26)25-8-4-3-5-20(25)22-18/h3-8,13-14H,9-12,15H2,1-2H3/p+1