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

Systemtic Name: N-(4-methylphenyl)-N-(2-oxidanyl-3-pyrrolidin-1-ium-1-yl-propyl)naphthalene-2-sulfonamide chloride Openeye Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl)-N-(p-tolyl)naphthalene-2-sulfonamide chloride CAS Name: N-[2-hydroxy-3-(1-pyrrolidin-1-iumyl)propyl]-N-(4-methylphenyl)-2-naphthalenesulfonamide chloride IUPAC Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl)-N-(4-methylphenyl)naphthalene-2-sulfonamide chloride Traditional Name: N-(2-hydroxy-3-pyrrolidin-1-ium-1-yl-propyl)-N-(p-tolyl)naphthalene-2-sulfonamide chloride Formula: C24H29ClN2O3S MolecularWeight: 461.01666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH+]2CCCC2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(C[NH+]2CCCC2)O)S(=O)(=O)C3=CC4=CC=CC=C4C=C3.[Cl-]

InChI

InChI=1S/C24H28N2O3S.ClH/c1-19-8-11-22(12-9-19)26(18-23(27)17-25-14-4-5-15-25)30(28,29)24-13-10-20-6-2-3-7-21(20)16-24;/h2-3,6-13,16,23,27H,4-5,14-15,17-18H2,1H3;1H