2,4-dimethoxy-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 2,4-dimethoxy-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2,4-dimethoxy-1-methyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 2,4-dimethoxy-1-methylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2,4-dimethoxy-1-methylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2,4-dimethoxy-1-methyl-quinolin-1-ium tosylate Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14NO2.C7H8O3S/c1-13-10-7-5-4-6-9(10)11(14-2)8-12(13)15-3;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