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

Systemtic Name: [1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-yl]methanol Openeye Name: [1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-yl]methanol CAS Name: [1-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-benzimidazolyl]methanol IUPAC Name: [1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-yl]methanol Traditional Name: [1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-yl]methanol 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=C3CO

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N=C3CO

InChI

InChI=1S/C21H26N4O3S/c1-16-7-8-17(2)20(13-16)29(27,28)24-11-9-23(10-12-24)15-25-19-6-4-3-5-18(19)22-21(25)14-26/h3-8,13,26H,9-12,14-15H2,1-2H3/p+1