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

Systemtic Name: 2-[1-(3,4-dimethoxyphenyl)carbonyl-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(4-fluorophenyl)ethanone Openeye Name: 2-[1-(3,4-dimethoxybenzoyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]-1-(4-fluorophenyl)ethanone CAS Name: 2-[1-[(3,4-dimethoxyphenyl)-oxomethyl]-6,7-dimethoxy-2-isoquinolin-2-iumyl]-1-(4-fluorophenyl)ethanone IUPAC Name: 2-[1-(3,4-dimethoxybenzoyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]-1-(4-fluorophenyl)ethanone Traditional Name: 2-(6,7-dimethoxy-1-veratroyl-isoquinolin-2-ium-2-yl)-1-(4-fluorophenyl)ethanone Formula: C28H25FNO6+ MolecularWeight: 490.499603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=[N+](C=CC3=CC(=C(C=C32)OC)OC)CC(=O)C4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=[N+](C=CC3=CC(=C(C=C32)OC)OC)CC(=O)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C28H25FNO6/c1-33-23-10-7-19(14-24(23)34-2)28(32)27-21-15-26(36-4)25(35-3)13-18(21)11-12-30(27)16-22(31)17-5-8-20(29)9-6-17/h5-15H,16H2,1-4H3/q+1