N-(4-methylphenyl)-N-[(2S)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propyl]benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-N-[(2S)-3-(4-methylpiperidin-1-ium-1-yl)-2-oxidanyl-propyl]benzenesulfonamide Openeye Name: N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-N-(p-tolyl)benzenesulfonamide CAS Name: N-[(2S)-2-hydroxy-3-(4-methyl-1-piperidin-1-iumyl)propyl]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-N-(4-methylphenyl)benzenesulfonamide Traditional Name: N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-ium-1-yl)propyl]-N-(p-tolyl)benzenesulfonamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](CN(C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H30N2O3S/c1-18-8-10-20(11-9-18)24(28(26,27)22-6-4-3-5-7-22)17-21(25)16-23-14-12-19(2)13-15-23/h3-11,19,21,25H,12-17H2,1-2H3/p+1/t21-/m0/s1