4-methyl-N-(4-methylphenyl)-N-(2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl)benzenesulfonamide chloride

Systemtic Name: 4-methyl-N-(4-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)-4-methyl-N-(p-tolyl)benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl)-4-methyl-N-(p-tolyl)benzenesulfonamide chloride Formula: C21H29ClN2O3S MolecularWeight: 424.98456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S.ClH/c1-17-5-9-19(10-6-17)23(16-20(24)15-22-13-3-4-14-22)27(25,26)21-11-7-18(2)8-12-21;/h5-12,20,24H,3-4,13-16H2,1-2H3;1H