methanesulfonic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol

Systemtic Name: methanesulfonic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol Openeye Name: methanesulfonic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol CAS Name: methanesulfonic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol IUPAC Name: methanesulfonic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol Traditional Name: mesylic acid; 2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanol Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)CCO

Isomeric SMILES

CS(=O)(=O)O.C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)CCO

InChI

InChI=1S/C17H17NO.CH4O3S/c19-11-10-15-12-14-8-4-5-9-16(14)17(18-15)13-6-2-1-3-7-13;1-5(2,3)4/h1-9,15,19H,10-12H2;1H3,(H,2,3,4)