2-cyclohexylethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: 2-cyclohexylethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: 2-cyclohexylethyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid 2-cyclohexylethyl ester iodide IUPAC Name: 2-cyclohexylethyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid 2-cyclohexylethyl ester iodide Formula: C22H28INO2 MolecularWeight: 465.36769

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCC3CCCCC3.[I-]

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCC3CCCCC3.[I-]

InChI

InChI=1S/C22H28NO2.HI/c1-2-23-15-13-20(19-11-7-4-8-12-19)21(17-23)22(24)25-16-14-18-9-5-3-6-10-18;/h4,7-8,11-13,15,17-18H,2-3,5-6,9-10,14,16H2,1H3;1H/q+1;/p-1