ethyl 1-methyl-5-(phenethylcarbamoyl)pyridin-1-ium-3-carboxylate iodide

Systemtic Name: ethyl 1-methyl-5-(phenethylcarbamoyl)pyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 1-methyl-5-(phenethylcarbamoyl)pyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-5-[oxo-(phenethylamino)methyl]-3-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-methyl-5-(phenethylcarbamoyl)pyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methyl-5-(phenethylcarbamoyl)pyridin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C18H21IN2O3 MolecularWeight: 440.27541

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC(=C1)C(=O)NCCC2=CC=CC=C2)C.[I-]

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC(=C1)C(=O)NCCC2=CC=CC=C2)C.[I-]

InChI

InChI=1S/C18H20N2O3.HI/c1-3-23-18(22)16-11-15(12-20(2)13-16)17(21)19-10-9-14-7-5-4-6-8-14;/h4-8,11-13H,3,9-10H2,1-2H3;1H