ethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-isoquinolin-2-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium-2-yl]acetate Traditional Name: 2-(6,7-dimethoxy-1-veratryl-isoquinolin-2-ium-2-yl)acetic acid ethyl ester Formula: C24H28NO6+ MolecularWeight: 426.48222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H28NO6/c1-6-31-24(26)15-25-10-9-17-13-22(29-4)23(30-5)14-18(17)19(25)11-16-7-8-20(27-2)21(12-16)28-3/h7-10,12-14H,6,11,15H2,1-5H3/q+1