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

Systemtic Name: dimethyl-[3-oxidanylidene-3-[(4-propoxyphenyl)amino]propyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[3-oxo-3-(4-propoxyanilino)propyl]sulfonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[3-oxo-3-(4-propoxyanilino)propyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[3-oxo-3-(4-propoxyanilino)propyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: [3-keto-3-(4-propoxyanilino)propyl]-dimethyl-sulfonium tosylate Formula: C21H29NO5S2 MolecularWeight: 439.58866

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)CC[S+](C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)CC[S+](C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H21NO2S.C7H8O3S/c1-4-10-17-13-7-5-12(6-8-13)15-14(16)9-11-18(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9-11H2,1-3H3;2-5H,1H3,(H,8,9,10)