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

Systemtic Name: dimethyl-[(2-oxidanylidene-2-thiophen-2-yl-ethoxy)methylidene]azanium; 4-methylbenzenesulfonate Openeye Name: dimethyl-[[2-oxo-2-(2-thienyl)ethoxy]methylene]ammonium; 4-methylbenzenesulfonate CAS Name: dimethyl-[(2-oxo-2-thiophen-2-ylethoxy)methylidene]ammonium; 4-methylbenzenesulfonate IUPAC Name: dimethyl-[(2-oxo-2-thiophen-2-ylethoxy)methylidene]azanium; 4-methylbenzenesulfonate Traditional Name: [2-keto-2-(2-thienyl)ethoxy]methylene-dimethyl-ammonium tosylate Formula: C16H19NO5S2 MolecularWeight: 369.45576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12NO2S.C7H8O3S/c1-10(2)7-12-6-8(11)9-4-3-5-13-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,7H,6H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1