2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanenitrile; methanesulfonic acid

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanenitrile; methanesulfonic acid Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile; methanesulfonic acid CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile; methanesulfonic acid IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile; methanesulfonic acid Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile; mesylic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CC#N)OC.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CC#N)OC.CS(=O)(=O)O

InChI

InChI=1S/C13H14N2O2.CH4O3S/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2;1-5(2,3)4/h7-8H,3-4,6H2,1-2H3;1H3,(H,2,3,4)