1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]cinnolin-4-one Openeye Name: 1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]cinnolin-4-one CAS Name: 1-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-cinnolinone IUPAC Name: 1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]cinnolin-4-one Traditional Name: 1-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]cinnolin-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)CN3C4=CC=CC=C4C(=O)C=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C=N3)C

InChI

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