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

Systemtic Name: 2-(2-azanyl-2-azanylidene-ethoxy)ethyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 2-(2-amino-2-imino-ethoxy)ethyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 2-(2-amino-2-iminoethoxy)ethyl ester IUPAC Name: 2-(2-amino-2-iminoethoxy)ethyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 2-(2-amino-2-imino-ethoxy)ethyl ester Formula: C11H16N3O3+ MolecularWeight: 238.26304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N3O3/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)/q+1