dimethyl-[3-[(4-methylphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium chloride

Systemtic Name: dimethyl-[3-[(4-methylphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: [3-[N-(benzenesulfonyl)-4-methyl-anilino]-2-hydroxy-propyl]-dimethyl-ammonium chloride CAS Name: [3-[N-(benzenesulfonyl)-4-methylanilino]-2-hydroxypropyl]-dimethylammonium chloride IUPAC Name: [3-[N-(benzenesulfonyl)-4-methylanilino]-2-hydroxypropyl]-dimethylazanium chloride Traditional Name: [3-(N-besyl-4-methyl-anilino)-2-hydroxy-propyl]-dimethyl-ammonium chloride Formula: C18H25ClN2O3S MolecularWeight: 384.9207

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(C[NH+](C)C)O)S(=O)(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(C[NH+](C)C)O)S(=O)(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H24N2O3S.ClH/c1-15-9-11-16(12-10-15)20(14-17(21)13-19(2)3)24(22,23)18-7-5-4-6-8-18;/h4-12,17,21H,13-14H2,1-3H3;1H