ethyl 2-oxidanylidene-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazole-4-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazole-4-carboxylate Openeye Name: ethyl 2-oxo-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazole-4-carboxylate CAS Name: 2-oxo-5-(1-pyridin-1-iumylmethyl)-1,3-dihydroimidazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-5-(pyridin-1-ium-1-ylmethyl)-1,3-dihydroimidazole-4-carboxylate Traditional Name: 2-keto-5-(pyridin-1-ium-1-ylmethyl)-4-imidazoline-4-carboxylic acid ethyl ester Formula: C12H14N3O3+ MolecularWeight: 248.25786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N1)C[N+]2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N1)C[N+]2=CC=CC=C2

InChI

InChI=1S/C12H13N3O3/c1-2-18-11(16)10-9(13-12(17)14-10)8-15-6-4-3-5-7-15/h3-7H,2,8H2,1H3,(H-,13,14,16,17)/p+1