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

Systemtic Name: 4-phenylbutyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: 4-phenylbutyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid 4-phenylbutyl ester iodide IUPAC Name: 4-phenylbutyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid 4-phenylbutyl ester iodide Formula: C24H26INO2 MolecularWeight: 487.37321

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCCCC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+]1=CC(=C(C=C1)C2=CC=CC=C2)C(=O)OCCCCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C24H26NO2.HI/c1-2-25-17-16-22(21-14-7-4-8-15-21)23(19-25)24(26)27-18-10-9-13-20-11-5-3-6-12-20;/h3-8,11-12,14-17,19H,2,9-10,13,18H2,1H3;1H/q+1;/p-1