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

Systemtic Name: 4-methyl-N-(2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl)-N-phenyl-benzenesulfonamide chloride Openeye Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl)-4-methyl-N-phenyl-benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-4-methyl-N-phenylbenzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl)-4-methyl-N-phenylbenzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl)-4-methyl-N-phenyl-benzenesulfonamide chloride Formula: C20H27ClN2O3S MolecularWeight: 410.95798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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