N-(4-methylphenyl)-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)naphthalene-2-sulfonamide chloride

Systemtic Name: N-(4-methylphenyl)-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)naphthalene-2-sulfonamide chloride Openeye Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-N-(p-tolyl)naphthalene-2-sulfonamide chloride CAS Name: N-[2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-N-(4-methylphenyl)-2-naphthalenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-piperidin-1-ium-1-ylpropyl)-N-(4-methylphenyl)naphthalene-2-sulfonamide chloride Traditional Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-N-(p-tolyl)naphthalene-2-sulfonamide chloride Formula: C25H31ClN2O3S MolecularWeight: 475.04324

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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=CC4=CC=CC=C4C=C3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(C[NH+]2CCCCC2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

InChI

InChI=1S/C25H30N2O3S.ClH/c1-20-9-12-23(13-10-20)27(19-24(28)18-26-15-5-2-6-16-26)31(29,30)25-14-11-21-7-3-4-8-22(21)17-25;/h3-4,7-14,17,24,28H,2,5-6,15-16,18-19H2,1H3;1H