ethyl 2-(4-methylphenyl)-3-phenyl-isoquinolin-2-ium-4-carboxylate

Systemtic Name: ethyl 2-(4-methylphenyl)-3-phenyl-isoquinolin-2-ium-4-carboxylate Openeye Name: ethyl 3-phenyl-2-(p-tolyl)isoquinolin-2-ium-4-carboxylate CAS Name: 2-(4-methylphenyl)-3-phenyl-4-isoquinolin-2-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)-3-phenylisoquinolin-2-ium-4-carboxylate Traditional Name: 3-phenyl-2-(p-tolyl)isoquinolin-2-ium-4-carboxylic acid ethyl ester Formula: C25H22NO2+ MolecularWeight: 368.44768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=CC2=CC=CC=C21)C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C([N+](=CC2=CC=CC=C21)C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H22NO2/c1-3-28-25(27)23-22-12-8-7-11-20(22)17-26(21-15-13-18(2)14-16-21)24(23)19-9-5-4-6-10-19/h4-17H,3H2,1-2H3/q+1