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

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propanoic acid chloride Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propanoic acid chloride CAS Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-isoquinolin-2-iumyl]propanoic acid chloride IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]propanoic acid chloride Traditional Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propionic acid chloride Formula: C22H24ClNO6 MolecularWeight: 433.88206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=CC2=CC(=C(C=C2C=C1C3=CC(=C(C=C3)OC)OC)OC)OC.[Cl-]

Isomeric SMILES

CC(C(=O)O)[N+]1=CC2=CC(=C(C=C2C=C1C3=CC(=C(C=C3)OC)OC)OC)OC.[Cl-]

InChI

InChI=1S/C22H23NO6.ClH/c1-13(22(24)25)23-12-16-11-21(29-5)20(28-4)10-15(16)8-17(23)14-6-7-18(26-2)19(9-14)27-3;/h6-13H,1-5H3;1H