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

Systemtic Name: 2-[[3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-benzimidazol-3-ium-2-yl]amino]ethanol Openeye Name: 2-[[3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-benzimidazol-3-ium-2-yl]amino]ethanol CAS Name: 2-[[3-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1H-benzimidazol-3-ium-2-yl]amino]ethanol IUPAC Name: 2-[[3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1H-benzimidazol-3-ium-2-yl]amino]ethanol Traditional Name: 2-[[3-[[4-(2,5-dimethylphenyl)sulfonylpiperazino]methyl]-1H-benzimidazol-3-ium-2-yl]amino]ethanol Formula: C22H30N5O3S+ MolecularWeight: 444.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C[N+]3=C(NC4=CC=CC=C43)NCCO

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C[N+]3=C(NC4=CC=CC=C43)NCCO

InChI

InChI=1S/C22H29N5O3S/c1-17-7-8-18(2)21(15-17)31(29,30)26-12-10-25(11-13-26)16-27-20-6-4-3-5-19(20)24-22(27)23-9-14-28/h3-8,15,28H,9-14,16H2,1-2H3,(H,23,24)/p+1