6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium; 4-methylbenzenesulfonate

Systemtic Name: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium; 4-methylbenzenesulfonate Openeye Name: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium; 4-methylbenzenesulfonate CAS Name: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium; 4-methylbenzenesulfonate IUPAC Name: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium; 4-methylbenzenesulfonate Traditional Name: 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium tosylate Formula: C19H23NO5S MolecularWeight: 377.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC2=CC(=C(C=C2CC1)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC2=CC(=C(C=C2CC1)OC)OC

InChI

InChI=1S/C12H16NO2.C7H8O3S/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13;1-6-2-4-7(5-3-6)11(8,9)10/h6-8H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1