2-isoquinolin-2-ium-2-yl-1-(2,4,5-trimethylphenyl)ethanone

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(2,4,5-trimethylphenyl)ethanone Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(2,4,5-trimethylphenyl)ethanone CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(2,4,5-trimethylphenyl)ethanone IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(2,4,5-trimethylphenyl)ethanone Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(2,4,5-trimethylphenyl)ethanone Formula: C20H20NO+ MolecularWeight: 290.3789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C[N+]2=CC3=CC=CC=C3C=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C[N+]2=CC3=CC=CC=C3C=C2)C)C

InChI

InChI=1S/C20H20NO/c1-14-10-16(3)19(11-15(14)2)20(22)13-21-9-8-17-6-4-5-7-18(17)12-21/h4-12H,13H2,1-3H3/q+1