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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C20H26N2O3S.ClH/c23-19(16-21-14-8-3-9-15-21)17-22(18-10-4-1-5-11-18)26(24,25)20-12-6-2-7-13-20;/h1-2,4-7,10-13,19,23H,3,8-9,14-17H2;1H