1-(4-ethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide

Systemtic Name: 1-(4-ethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Openeye Name: 1-(4-ethoxyphenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide CAS Name: 1-(4-ethoxyphenyl)-2-(2-isoquinolin-2-iumyl)ethanone bromide IUPAC Name: 1-(4-ethoxyphenyl)-2-isoquinolin-2-ium-2-ylethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-p-phenetyl-ethanone bromide Formula: C19H18BrNO2 MolecularWeight: 372.25572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

InChI

InChI=1S/C19H18NO2.BrH/c1-2-22-18-9-7-16(8-10-18)19(21)14-20-12-11-15-5-3-4-6-17(15)13-20;/h3-13H,2,14H2,1H3;1H/q+1;/p-1