2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-2-methyl-propanoate

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-2-methyl-propanoate Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-2-methyl-propanoate CAS Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-isoquinolin-2-iumyl]-2-methylpropanoate IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]-2-methylpropanoate Traditional Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-2-methyl-propionate Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6/c1-23(2,22(25)26)24-13-16-12-21(30-6)20(29-5)11-15(16)9-17(24)14-7-8-18(27-3)19(10-14)28-4/h7-13H,1-6H3