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

Systemtic Name: 1-[2-(4-fluorophenyl)-2-oxidanylidene-ethoxy]ethylidene-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 1-[2-(4-fluorophenyl)-2-oxo-ethoxy]ethylidene-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 1-[2-(4-fluorophenyl)-2-oxoethoxy]ethylidene-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 1-[2-(4-fluorophenyl)-2-oxoethoxy]ethylidene-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: 1-[2-(4-fluorophenyl)-2-keto-ethoxy]ethylidene-dimethyl-ammonium tosylate Formula: C19H22FNO5S MolecularWeight: 395.445083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15FNO2.C7H8O3S/c1-9(14(2)3)16-8-12(15)10-4-6-11(13)7-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,8H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1