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

Systemtic Name: 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)-N-phenyl-benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-N-phenylbenzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl)-N-phenylbenzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl)-N-phenyl-benzenesulfonamide chloride Formula: C19H25ClN2O3S MolecularWeight: 396.9314

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1CC[NH+](C1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C19H24N2O3S.ClH/c22-18(15-20-13-7-8-14-20)16-21(17-9-3-1-4-10-17)25(23,24)19-11-5-2-6-12-19;/h1-6,9-12,18,22H,7-8,13-16H2;1H