2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]ethanoic acid chloride

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]ethanoic acid chloride Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]acetic acid chloride CAS Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-isoquinolin-2-iumyl]acetic acid chloride IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]acetic acid chloride Traditional Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]acetic acid chloride Formula: C21H22ClNO6 MolecularWeight: 419.85548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C=[N+]2CC(=O)O)OC)OC)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C=[N+]2CC(=O)O)OC)OC)OC.[Cl-]

InChI

InChI=1S/C21H21NO6.ClH/c1-25-17-6-5-13(8-18(17)26-2)16-7-14-9-19(27-3)20(28-4)10-15(14)11-22(16)12-21(23)24;/h5-11H,12H2,1-4H3;1H