[3-[(4-methoxyphenyl)amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate

Systemtic Name: [3-[(4-methoxyphenyl)amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium; 4-methylbenzenesulfonate Openeye Name: [3-(4-methoxyanilino)-3-oxo-propyl]-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: [3-(4-methoxyanilino)-3-oxopropyl]-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: [3-(4-methoxyanilino)-3-oxopropyl]-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: [3-keto-3-(p-anisidino)propyl]-dimethyl-sulfonium tosylate Formula: C19H25NO5S2 MolecularWeight: 411.5355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)NC(=O)CC[S+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].COC1=CC=C(C=C1)NC(=O)CC[S+](C)C

InChI

InChI=1S/C12H17NO2S.C7H8O3S/c1-15-11-6-4-10(5-7-11)13-12(14)8-9-16(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,8-9H2,1-3H3;2-5H,1H3,(H,8,9,10)