N-[3-(3H-benzimidazol-1-ium-1-yl)-2-oxidanyl-propyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide chloride

Systemtic Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-oxidanyl-propyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide chloride Openeye Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxy-propyl]-4-methyl-N-(m-tolyl)benzenesulfonamide chloride CAS Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide chloride IUPAC Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxypropyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide chloride Traditional Name: N-[3-(3H-benzimidazol-1-ium-1-yl)-2-hydroxy-propyl]-4-methyl-N-(m-tolyl)benzenesulfonamide chloride Formula: C24H26ClN3O3S MolecularWeight: 471.99954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[N+]2=CNC3=CC=CC=C32)O)C4=CC=CC(=C4)C.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[N+]2=CNC3=CC=CC=C32)O)C4=CC=CC(=C4)C.[Cl-]

InChI

InChI=1S/C24H25N3O3S.ClH/c1-18-10-12-22(13-11-18)31(29,30)27(20-7-5-6-19(2)14-20)16-21(28)15-26-17-25-23-8-3-4-9-24(23)26;/h3-14,17,21,28H,15-16H2,1-2H3;1H