1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one

Systemtic Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one Openeye Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one CAS Name: 1-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methyl-2-benzimidazolone IUPAC Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methylbenzimidazol-2-one Traditional Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C21H26N4O3S/c1-16-8-9-17(2)20(14-16)29(27,28)24-12-10-23(11-13-24)15-25-19-7-5-4-6-18(19)22(3)21(25)26/h4-9,14H,10-13,15H2,1-3H3/p+1