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

Systemtic Name: dimethyl-[3-[(3-methylphenyl)-(phenylsulfonyl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [3-[N-(benzenesulfonyl)-3-methyl-anilino]-2-hydroxy-propyl]-dimethyl-ammonium CAS Name: [3-[N-(benzenesulfonyl)-3-methylanilino]-2-hydroxypropyl]-dimethylammonium IUPAC Name: [3-[N-(benzenesulfonyl)-3-methylanilino]-2-hydroxypropyl]-dimethylazanium Traditional Name: [3-(N-besyl-3-methyl-anilino)-2-hydroxy-propyl]-dimethyl-ammonium Formula: C18H25N2O3S+ MolecularWeight: 349.4677

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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