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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C(C2=CC=CC=C2)C3=[NH+]C=CC4=CC=CC=C43.[Br-]

Isomeric SMILES

COC1=CC=CC=C1C(=O)C(C2=CC=CC=C2)C3=[NH+]C=CC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C24H19NO2.BrH/c1-27-21-14-8-7-13-20(21)24(26)22(18-10-3-2-4-11-18)23-19-12-6-5-9-17(19)15-16-25-23;/h2-16,22H,1H3;1H