1-(4-ethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone

Systemtic Name: 1-(4-ethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-(4-ethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-(4-ethylphenyl)-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-(4-ethylphenyl)-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(4-ethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C19H18NO+ MolecularWeight: 276.35232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C19H18NO/c1-2-15-7-9-17(10-8-15)19(21)14-20-12-11-16-5-3-4-6-18(16)13-20/h3-13H,2,14H2,1H3/q+1