dimethyl-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]ethylidene]azanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-[1-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]ethylidene]azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[1-[2-oxo-2-(p-tolyl)ethoxy]ethylidene]ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[1-[2-(4-methylphenyl)-2-oxoethoxy]ethylidene]ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[1-[2-(4-methylphenyl)-2-oxoethoxy]ethylidene]azanium; 4-methylbenzenesulfonate Traditional Name: 1-[2-keto-2-(p-tolyl)ethoxy]ethylidene-dimethyl-ammonium tosylate Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO2.C7H8O3S/c1-10-5-7-12(8-6-10)13(15)9-16-11(2)14(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,9H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1