ethyl 1-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyridin-1-ium-2-carboxylate iodide

Systemtic Name: ethyl 1-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyridin-1-ium-2-carboxylate iodide Openeye Name: ethyl 1-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyridin-1-ium-2-carboxylate iodide CAS Name: 1-[[2-(4-hydroxyphenyl)ethylamino]-oxomethyl]-2-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyridin-1-ium-2-carboxylate iodide Traditional Name: 1-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyridin-1-ium-2-carboxylic acid ethyl ester iodide Formula: C17H19IN2O4 MolecularWeight: 442.24823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=[N+]1C(=O)NCCC2=CC=C(C=C2)O.[I-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=[N+]1C(=O)NCCC2=CC=C(C=C2)O.[I-]

InChI

InChI=1S/C17H18N2O4.HI/c1-2-23-16(21)15-5-3-4-12-19(15)17(22)18-11-10-13-6-8-14(20)9-7-13;/h3-9,12H,2,10-11H2,1H3,(H-,18,20,22);1H