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

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]ethanoic acid Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]acetic acid CAS Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-isoquinolin-2-iumyl]acetic acid IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]acetic acid Traditional Name: 2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]acetic acid Formula: C21H22NO6+ MolecularWeight: 384.40248

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6/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/p+1