propyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: propyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: propyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid propyl ester iodide IUPAC Name: propyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid propyl ester iodide Formula: C17H20INO2 MolecularWeight: 397.25067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=C[N+](=C1)CC)C2=CC=CC=C2.[I-]

Isomeric SMILES

CCCOC(=O)C1=C(C=C[N+](=C1)CC)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C17H20NO2.HI/c1-3-12-20-17(19)16-13-18(4-2)11-10-15(16)14-8-6-5-7-9-14;/h5-11,13H,3-4,12H2,1-2H3;1H/q+1;/p-1