4-methylbenzenesulfonate; methyl 1-methylquinolin-1-ium-4-carboxylate

Systemtic Name: 4-methylbenzenesulfonate; methyl 1-methylquinolin-1-ium-4-carboxylate Openeye Name: 4-methylbenzenesulfonate; methyl 1-methylquinolin-1-ium-4-carboxylate CAS Name: 4-methylbenzenesulfonate; 1-methyl-4-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: 4-methylbenzenesulfonate; methyl 1-methylquinolin-1-ium-4-carboxylate Traditional Name: 1-methylquinolin-1-ium-4-carboxylic acid methyl ester tosylate Formula: C19H19NO5S MolecularWeight: 373.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C12H12NO2.C7H8O3S/c1-13-8-7-10(12(14)15-2)9-5-3-4-6-11(9)13;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1