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

Systemtic Name: 2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]propanoic acid chloride Openeye Name: 2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]propanoic acid chloride CAS Name: 2-[6,7-dimethoxy-3-(4-methoxyphenyl)-2-isoquinolin-2-iumyl]propanoic acid chloride IUPAC Name: 2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]propanoic acid chloride Traditional Name: 2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]propionic acid chloride Formula: C21H22ClNO5 MolecularWeight: 403.85608

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5.ClH/c1-13(21(23)24)22-12-16-11-20(27-4)19(26-3)10-15(16)9-18(22)14-5-7-17(25-2)8-6-14;/h5-13H,1-4H3;1H