1-(2,3-diethoxyphenyl)-4,6-diethoxy-isoquinoline hydrochloride

Systemtic Name: 1-(2,3-diethoxyphenyl)-4,6-diethoxy-isoquinoline hydrochloride Openeye Name: 1-(2,3-diethoxyphenyl)-4,6-diethoxy-isoquinoline hydrochloride CAS Name: 1-(2,3-diethoxyphenyl)-4,6-diethoxyisoquinoline hydrochloride IUPAC Name: 1-(2,3-diethoxyphenyl)-4,6-diethoxyisoquinoline hydrochloride Traditional Name: 1-(2,3-diethoxyphenyl)-4,6-diethoxy-isoquinoline hydrochloride Formula: C23H28ClNO4 MolecularWeight: 417.92572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=NC=C2OCC)C3=C(C(=CC=C3)OCC)OCC.Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=NC=C2OCC)C3=C(C(=CC=C3)OCC)OCC.Cl

InChI

InChI=1S/C23H27NO4.ClH/c1-5-25-16-12-13-17-19(14-16)21(27-7-3)15-24-22(17)18-10-9-11-20(26-6-2)23(18)28-8-4;/h9-15H,5-8H2,1-4H3;1H