2-isoquinolin-2-ium-2-yl-2-(4-methoxyphenyl)-1-phenyl-ethanone bromide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-2-(4-methoxyphenyl)-1-phenyl-ethanone bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-2-(4-methoxyphenyl)-1-phenyl-ethanone bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-2-(4-methoxyphenyl)-1-phenylethanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-2-(4-methoxyphenyl)-1-phenylethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-2-(4-methoxyphenyl)-1-phenyl-ethanone bromide Formula: C24H20BrNO2 MolecularWeight: 434.3251

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)[N+]3=CC4=CC=CC=C4C=C3.[Br-]

InChI

InChI=1S/C24H20NO2.BrH/c1-27-22-13-11-19(12-14-22)23(24(26)20-8-3-2-4-9-20)25-16-15-18-7-5-6-10-21(18)17-25;/h2-17,23H,1H3;1H/q+1;/p-1