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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CC(C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=CC=CC=C1N(CC(C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3.[Cl-]

InChI

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