N-(3-methylphenyl)-N-(2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl)benzenesulfonamide chloride

Systemtic Name: N-(3-methylphenyl)-N-(2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl)benzenesulfonamide chloride Openeye Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl)-N-(m-tolyl)benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-N-(3-methylphenyl)benzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl)-N-(3-methylphenyl)benzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl)-N-(m-tolyl)benzenesulfonamide chloride Formula: C20H27ClN2O3S MolecularWeight: 410.95798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC(C[NH+]2CCCC2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)N(CC(C[NH+]2CCCC2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H26N2O3S.ClH/c1-17-8-7-9-18(14-17)22(16-19(23)15-21-12-5-6-13-21)26(24,25)20-10-3-2-4-11-20;/h2-4,7-11,14,19,23H,5-6,12-13,15-16H2,1H3;1H