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

Systemtic Name: 2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]ethanoic acid Openeye Name: 2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]acetic acid CAS Name: 2-[6,7-dimethoxy-3-(4-methoxyphenyl)-2-isoquinolin-2-iumyl]acetic acid IUPAC Name: 2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]acetic acid Traditional Name: 2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]acetic acid Formula: C20H20NO5+ MolecularWeight: 354.3765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO5/c1-24-16-6-4-13(5-7-16)17-8-14-9-18(25-2)19(26-3)10-15(14)11-21(17)12-20(22)23/h4-11H,12H2,1-3H3/p+1