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

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

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c1-18-6-10-20(11-7-18)24(17-21(25)16-23-14-4-3-5-15-23)28(26,27)22-12-8-19(2)9-13-22/h6-13,21,25H,3-5,14-17H2,1-2H3/p+1