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

Systemtic Name: dimethyl-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: [2-hydroxy-3-[N-(p-tolylsulfonyl)anilino]propyl]-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propyl]-dimethylammonium chloride IUPAC Name: [2-hydroxy-3-(N-(4-methylphenyl)sulfonylanilino)propyl]-dimethylazanium chloride Traditional Name: [2-hydroxy-3-(N-tosylanilino)propyl]-dimethyl-ammonium chloride Formula: C18H25ClN2O3S MolecularWeight: 384.9207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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