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

Systemtic Name: N-(4-methoxyphenyl)-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzenesulfonamide chloride Openeye Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-N-(4-methoxyphenyl)benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-piperidin-1-ium-1-ylpropyl)-N-(4-methoxyphenyl)benzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-N-(4-methoxyphenyl)benzenesulfonamide chloride Formula: C21H29ClN2O4S MolecularWeight: 440.98396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H28N2O4S.ClH/c1-27-20-12-10-18(11-13-20)23(28(25,26)21-8-4-2-5-9-21)17-19(24)16-22-14-6-3-7-15-22;/h2,4-5,8-13,19,24H,3,6-7,14-17H2,1H3;1H