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

Systemtic Name: ethyl 2-(4-methylphenyl)-3-phenyl-isoquinolin-2-ium-4-carboxylate iodide Openeye Name: ethyl 3-phenyl-2-(p-tolyl)isoquinolin-2-ium-4-carboxylate iodide CAS Name: 2-(4-methylphenyl)-3-phenyl-4-isoquinolin-2-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 2-(4-methylphenyl)-3-phenylisoquinolin-2-ium-4-carboxylate iodide Traditional Name: 3-phenyl-2-(p-tolyl)isoquinolin-2-ium-4-carboxylic acid ethyl ester iodide Formula: C25H22INO2 MolecularWeight: 495.35215

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C25H22NO2.HI/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;1H/q+1;/p-1