4-[3-(dimethylamino)-1,4-dihydroisoquinolin-1-yl]benzoic acid hydrochloride

Systemtic Name: 4-[3-(dimethylamino)-1,4-dihydroisoquinolin-1-yl]benzoic acid hydrochloride Openeye Name: 4-[3-(dimethylamino)-1,4-dihydroisoquinolin-1-yl]benzoic acid hydrochloride CAS Name: 4-[3-(dimethylamino)-1,4-dihydroisoquinolin-1-yl]benzoic acid hydrochloride IUPAC Name: 4-[3-(dimethylamino)-1,4-dihydroisoquinolin-1-yl]benzoic acid hydrochloride Traditional Name: 4-[3-(dimethylamino)-1,4-dihydroisoquinolin-1-yl]benzoic acid hydrochloride Formula: C18H19ClN2O2 MolecularWeight: 330.80866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(C2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

CN(C)C1=NC(C2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)O.Cl

InChI

InChI=1S/C18H18N2O2.ClH/c1-20(2)16-11-14-5-3-4-6-15(14)17(19-16)12-7-9-13(10-8-12)18(21)22;/h3-10,17H,11H2,1-2H3,(H,21,22);1H