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

Systemtic Name: nonyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: nonyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid nonyl ester iodide IUPAC Name: nonyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid nonyl ester iodide Formula: C23H32INO2 MolecularWeight: 481.41015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32NO2.HI/c1-3-5-6-7-8-9-13-18-26-23(25)22-19-24(4-2)17-16-21(22)20-14-11-10-12-15-20;/h10-12,14-17,19H,3-9,13,18H2,1-2H3;1H/q+1;/p-1