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

Systemtic Name: dimethyl-[3-[(4-methylphenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]azanium chloride Openeye Name: [2-hydroxy-3-[4-methyl-N-(p-tolylsulfonyl)anilino]propyl]-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propyl]-dimethylammonium chloride IUPAC Name: [2-hydroxy-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propyl]-dimethylazanium chloride Traditional Name: [2-hydroxy-3-(4-methyl-N-tosyl-anilino)propyl]-dimethyl-ammonium chloride Formula: C19H27ClN2O3S MolecularWeight: 398.94728

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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=C(C=C2)C.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3S.ClH/c1-15-5-9-17(10-6-15)21(14-18(22)13-20(3)4)25(23,24)19-11-7-16(2)8-12-19;/h5-12,18,22H,13-14H2,1-4H3;1H