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

Systemtic Name: dimethyl-[1-(2-oxidanylidene-2-thiophen-2-yl-ethoxy)ethylidene]azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[1-[2-oxo-2-(2-thienyl)ethoxy]ethylidene]ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[1-(2-oxo-2-thiophen-2-ylethoxy)ethylidene]ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[1-(2-oxo-2-thiophen-2-ylethoxy)ethylidene]azanium; 4-methylbenzenesulfonate Traditional Name: 1-[2-keto-2-(2-thienyl)ethoxy]ethylidene-dimethyl-ammonium tosylate Formula: C17H21NO5S2 MolecularWeight: 383.48234

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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=CS1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=[N+](C)C)OCC(=O)C1=CC=CS1

InChI

InChI=1S/C10H14NO2S.C7H8O3S/c1-8(11(2)3)13-7-9(12)10-5-4-6-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-6H,7H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1