2-[1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 2-[1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(4-nitrophenyl)ethanone CAS Name: 2-[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-isoquinolin-2-iumyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium-2-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 2-[1-(2-bromo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(4-nitrophenyl)ethanone Formula: C28H26BrN2O7+ MolecularWeight: 582.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C[N+](=C2CC3=CC(=C(C=C3Br)OC)OC)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C[N+](=C2CC3=CC(=C(C=C3Br)OC)OC)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C28H26BrN2O7/c1-35-25-12-18-9-10-30(16-24(32)17-5-7-20(8-6-17)31(33)34)23(21(18)14-27(25)37-3)11-19-13-26(36-2)28(38-4)15-22(19)29/h5-10,12-15H,11,16H2,1-4H3/q+1