dimethyl-[1-(1-oxidanylidene-1-phenyl-propan-2-yl)oxyethylidene]azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[1-(1-oxidanylidene-1-phenyl-propan-2-yl)oxyethylidene]azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[1-(1-methyl-2-oxo-2-phenyl-ethoxy)ethylidene]ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[1-(1-oxo-1-phenylpropan-2-yl)oxyethylidene]ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[1-(1-oxo-1-phenylpropan-2-yl)oxyethylidene]azanium; 4-methylbenzenesulfonate Traditional Name: 1-(2-keto-1-methyl-2-phenyl-ethoxy)ethylidene-dimethyl-ammonium tosylate Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO2.C7H8O3S/c1-10(16-11(2)14(3)4)13(15)12-8-6-5-7-9-12;1-6-2-4-7(5-3-6)11(8,9)10/h5-10H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1