1-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline hydrochloride

Systemtic Name: 1-[(2-bromanyl-4,5-diethoxy-phenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline hydrochloride Openeye Name: 1-[(2-bromo-4,5-diethoxy-phenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline hydrochloride CAS Name: 1-[(2-bromo-4,5-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline hydrochloride IUPAC Name: 1-[(2-bromo-4,5-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinoline hydrochloride Traditional Name: 1-(2-bromo-4,5-diethoxy-benzyl)-6,7-diethoxy-3,4-dihydroisoquinoline hydrochloride Formula: C24H31BrClNO4 MolecularWeight: 512.86424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3Br)OCC)OCC)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3Br)OCC)OCC)OCC.Cl

InChI

InChI=1S/C24H30BrNO4.ClH/c1-5-27-21-12-16-9-10-26-20(18(16)14-23(21)29-7-3)11-17-13-22(28-6-2)24(30-8-4)15-19(17)25;/h12-15H,5-11H2,1-4H3;1H