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

Systemtic Name: methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]ethanoate bromide Openeye Name: methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]acetate bromide CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-isoquinolin-2-iumyl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium-2-yl]acetate bromide Traditional Name: 2-(6,7-dimethoxy-1-veratryl-isoquinolin-2-ium-2-yl)acetic acid methyl ester bromide Formula: C23H26BrNO6 MolecularWeight: 492.35964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)CC(=O)OC)OC.[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)CC(=O)OC)OC.[Br-]

InChI

InChI=1S/C23H26NO6.BrH/c1-26-19-7-6-15(11-20(19)27-2)10-18-17-13-22(29-4)21(28-3)12-16(17)8-9-24(18)14-23(25)30-5;/h6-9,11-13H,10,14H2,1-5H3;1H/q+1;/p-1