5-phenylpentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide

Systemtic Name: 5-phenylpentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: 5-phenylpentyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid 5-phenylpentyl ester iodide IUPAC Name: 5-phenylpentyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid 5-phenylpentyl ester iodide Formula: C25H28INO2 MolecularWeight: 501.39979

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCCCCC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCCCCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C25H28NO2.HI/c1-2-26-18-17-23(22-15-9-4-10-16-22)24(20-26)25(27)28-19-11-5-8-14-21-12-6-3-7-13-21;/h3-4,6-7,9-10,12-13,15-18,20H,2,5,8,11,14,19H2,1H3;1H/q+1;/p-1