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

Systemtic Name: 4-methyl-N-naphthalen-1-yl-N-(2-oxidanyl-3-piperidin-1-ium-1-yl-propyl)benzenesulfonamide chloride Openeye Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-4-methyl-N-(1-naphthyl)benzenesulfonamide chloride CAS Name: N-[2-hydroxy-3-(1-piperidin-1-iumyl)propyl]-4-methyl-N-(1-naphthalenyl)benzenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-piperidin-1-ium-1-ylpropyl)-4-methyl-N-naphthalen-1-ylbenzenesulfonamide chloride Traditional Name: N-(2-hydroxy-3-piperidin-1-ium-1-yl-propyl)-4-methyl-N-(1-naphthyl)benzenesulfonamide chloride Formula: C25H31ClN2O3S MolecularWeight: 475.04324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCCCC2)O)C3=CC=CC4=CC=CC=C43.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C[NH+]2CCCCC2)O)C3=CC=CC4=CC=CC=C43.[Cl-]

InChI

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