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

Systemtic Name: dimethyl-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[3-(4-methylanilino)-3-oxo-propyl]sulfonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[3-(4-methylanilino)-3-oxopropyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[3-(4-methylanilino)-3-oxopropyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: [3-keto-3-(p-toluidino)propyl]-dimethyl-sulfonium tosylate Formula: C19H25NO4S2 MolecularWeight: 395.5361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NOS.C7H8O3S/c1-10-4-6-11(7-5-10)13-12(14)8-9-15(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)