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

Systemtic Name: cyclohexylmethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: cyclohexylmethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid cyclohexylmethyl ester iodide IUPAC Name: cyclohexylmethyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid cyclohexylmethyl ester iodide Formula: C21H26INO2 MolecularWeight: 451.34111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCC3CCCCC3.[I-]

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCC3CCCCC3.[I-]

InChI

InChI=1S/C21H26NO2.HI/c1-2-22-14-13-19(18-11-7-4-8-12-18)20(15-22)21(23)24-16-17-9-5-3-6-10-17;/h4,7-8,11-15,17H,2-3,5-6,9-10,16H2,1H3;1H/q+1;/p-1