N-(4-methylphenyl)-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzenesulfonamide

Systemtic Name: N-(4-methylphenyl)-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzenesulfonamide Openeye Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-N-(p-tolyl)benzenesulfonamide CAS Name: N-[2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-N-(4-methylphenyl)benzenesulfonamide IUPAC Name: N-(2-hydroxy-3-piperidin-1-ium-1-ylpropyl)-N-(4-methylphenyl)benzenesulfonamide Traditional Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-N-(p-tolyl)benzenesulfonamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O3S/c1-18-10-12-19(13-11-18)23(27(25,26)21-8-4-2-5-9-21)17-20(24)16-22-14-6-3-7-15-22/h2,4-5,8-13,20,24H,3,6-7,14-17H2,1H3/p+1