1-[(2,3-dimethoxyphenyl)methyl]-5,6-diethoxy-isoquinoline hydrochloride

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-5,6-diethoxy-isoquinoline hydrochloride Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-5,6-diethoxy-isoquinoline hydrochloride CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-5,6-diethoxyisoquinoline hydrochloride IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-5,6-diethoxyisoquinoline hydrochloride Traditional Name: 5,6-diethoxy-1-o-veratryl-isoquinoline hydrochloride Formula: C22H26ClNO4 MolecularWeight: 403.89914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C1)C(=NC=C2)CC3=C(C(=CC=C3)OC)OC)OCC.Cl

Isomeric SMILES

CCOC1=C(C2=C(C=C1)C(=NC=C2)CC3=C(C(=CC=C3)OC)OC)OCC.Cl

InChI

InChI=1S/C22H25NO4.ClH/c1-5-26-20-11-10-16-17(22(20)27-6-2)12-13-23-18(16)14-15-8-7-9-19(24-3)21(15)25-4;/h7-13H,5-6,14H2,1-4H3;1H