(phenylmethyl) 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate iodide

Systemtic Name: (phenylmethyl) 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate iodide Openeye Name: benzyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate iodide CAS Name: 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid (phenylmethyl) ester iodide IUPAC Name: benzyl 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylate iodide Traditional Name: 1-methyl-1,2,3,6-tetrahydropyridin-1-ium-5-carboxylic acid benzyl ester iodide Formula: C14H18INO2 MolecularWeight: 359.20269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC=C(C1)C(=O)OCC2=CC=CC=C2.[I-]

Isomeric SMILES

C[NH+]1CCC=C(C1)C(=O)OCC2=CC=CC=C2.[I-]

InChI

InChI=1S/C14H17NO2.HI/c1-15-9-5-8-13(10-15)14(16)17-11-12-6-3-2-4-7-12;/h2-4,6-8H,5,9-11H2,1H3;1H