methyl 2-(phenylmethyl)isoquinolin-2-ium-3-carboxylate iodide

Systemtic Name: methyl 2-(phenylmethyl)isoquinolin-2-ium-3-carboxylate iodide Openeye Name: methyl 2-benzylisoquinolin-2-ium-3-carboxylate iodide CAS Name: 2-(phenylmethyl)-3-isoquinolin-2-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 2-benzylisoquinolin-2-ium-3-carboxylate iodide Traditional Name: 2-benzylisoquinolin-2-ium-3-carboxylic acid methyl ester iodide Formula: C18H16INO2 MolecularWeight: 405.22961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C=[N+]1CC3=CC=CC=C3.[I-]

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C=[N+]1CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H16NO2.HI/c1-21-18(20)17-11-15-9-5-6-10-16(15)13-19(17)12-14-7-3-2-4-8-14;/h2-11,13H,12H2,1H3;1H/q+1;/p-1