ethyl 1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-3-carboxylate iodide

Systemtic Name: ethyl 1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-3-carboxylate iodide Openeye Name: ethyl 1-(2-amino-2-oxo-ethyl)pyridin-1-ium-3-carboxylate iodide CAS Name: 1-(2-amino-2-oxoethyl)-3-pyridin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-(2-amino-2-oxoethyl)pyridin-1-ium-3-carboxylate iodide Traditional Name: 1-(2-amino-2-keto-ethyl)pyridin-1-ium-3-carboxylic acid ethyl ester iodide Formula: C10H13IN2O3 MolecularWeight: 336.12629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O3.HI/c1-2-15-10(14)8-4-3-5-12(6-8)7-9(11)13;/h3-6H,2,7H2,1H3,(H-,11,13);1H