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

Systemtic Name: 3-cyclohexylpropyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: 3-cyclohexylpropyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid 3-cyclohexylpropyl ester iodide IUPAC Name: 3-cyclohexylpropyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid 3-cyclohexylpropyl ester iodide Formula: C23H30INO2 MolecularWeight: 479.39427

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCCC3CCCCC3.[I-]

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCCC3CCCCC3.[I-]

InChI

InChI=1S/C23H30NO2.HI/c1-2-24-16-15-21(20-13-7-4-8-14-20)22(18-24)23(25)26-17-9-12-19-10-5-3-6-11-19;/h4,7-8,13-16,18-19H,2-3,5-6,9-12,17H2,1H3;1H/q+1;/p-1