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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]methylidene-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethoxy]methylene-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [2-(4-chlorophenyl)-2-oxoethoxy]methylidene-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: [2-(4-chlorophenyl)-2-oxoethoxy]methylidene-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: [2-(4-chlorophenyl)-2-keto-ethoxy]methylene-dimethyl-ammonium tosylate Formula: C18H20ClNO5S MolecularWeight: 397.8731

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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=C(C=C1)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClNO2.C7H8O3S/c1-13(2)8-15-7-11(14)9-3-5-10(12)6-4-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,8H,7H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1