2-methylbenzenesulfonate; 2-methyl-3,4-dihydroisoquinolin-2-ium

Systemtic Name: 2-methylbenzenesulfonate; 2-methyl-3,4-dihydroisoquinolin-2-ium Openeye Name: 2-methylbenzenesulfonate; 2-methyl-3,4-dihydroisoquinolin-2-ium CAS Name: 2-methylbenzenesulfonate; 2-methyl-3,4-dihydroisoquinolin-2-ium IUPAC Name: 2-methylbenzenesulfonate; 2-methyl-3,4-dihydroisoquinolin-2-ium Traditional Name: 2-methylbesylate; 2-methyl-3,4-dihydroisoquinolin-2-ium Formula: C17H19NO3S MolecularWeight: 317.40266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)[O-].C[N+]1=CC2=CC=CC=C2CC1

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)[O-].C[N+]1=CC2=CC=CC=C2CC1

InChI

InChI=1S/C10H12N.C7H8O3S/c1-11-7-6-9-4-2-3-5-10(9)8-11;1-6-4-2-3-5-7(6)11(8,9)10/h2-5,8H,6-7H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1