6-methoxy-1,2-dimethyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 6-methoxy-1,2-dimethyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 6-methoxy-1,2-dimethyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 6-methoxy-1,2-dimethylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 6-methoxy-1,2-dimethylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 6-methoxy-1,2-dimethyl-quinolin-1-ium tosylate Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14NO.C7H8O3S/c1-9-4-5-10-8-11(14-3)6-7-12(10)13(9)2;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1