2-(2-azanyl-2-azanylidene-ethoxy)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide

Systemtic Name: 2-(2-azanyl-2-azanylidene-ethoxy)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide Openeye Name: 2-(2-amino-2-imino-ethoxy)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 2-(2-amino-2-iminoethoxy)ethyl ester iodide IUPAC Name: 2-(2-amino-2-iminoethoxy)ethyl 1-methylpyridin-1-ium-3-carboxylate iodide Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 2-(2-amino-2-imino-ethoxy)ethyl ester iodide Formula: C11H16IN3O3 MolecularWeight: 365.16751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N3O3.HI/c1-14-4-2-3-9(7-14)11(15)17-6-5-16-8-10(12)13;/h2-4,7H,5-6,8H2,1H3,(H3,12,13);1H/q+1;/p-1