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

Systemtic Name: 2-methylpropyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide Openeye Name: isobutyl 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylate iodide CAS Name: 1-ethyl-4-phenyl-3-pyridin-1-iumcarboxylic acid 2-methylpropyl ester iodide IUPAC Name: 2-methylpropyl 1-ethyl-4-phenylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-ethyl-4-phenyl-pyridin-1-ium-3-carboxylic acid isobutyl ester iodide Formula: C18H22INO2 MolecularWeight: 411.27725

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22NO2.HI/c1-4-19-11-10-16(15-8-6-5-7-9-15)17(12-19)18(20)21-13-14(2)3;/h5-12,14H,4,13H2,1-3H3;1H/q+1;/p-1