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

Systemtic Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-isoquinolin-2-iumyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium-2-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-(6,7-dimethoxy-1-veratryl-isoquinolin-2-ium-2-yl)-1-(4-nitrophenyl)ethanone Formula: C28H27N2O7+ MolecularWeight: 503.52318

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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)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C28H27N2O7/c1-34-25-10-5-18(14-26(25)35-2)13-23-22-16-28(37-4)27(36-3)15-20(22)11-12-29(23)17-24(31)19-6-8-21(9-7-19)30(32)33/h5-12,14-16H,13,17H2,1-4H3/q+1