ethyl 4-(pyridin-1-ium-2-ylcarbamoyl)-1H-imidazol-3-ium-5-carboxylate

Systemtic Name: ethyl 4-(pyridin-1-ium-2-ylcarbamoyl)-1H-imidazol-3-ium-5-carboxylate Openeye Name: ethyl 4-(pyridin-1-ium-2-ylcarbamoyl)-1H-imidazol-3-ium-5-carboxylate CAS Name: 4-[oxo-(2-pyridin-1-iumylamino)methyl]-1H-imidazol-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(pyridin-1-ium-2-ylcarbamoyl)-1H-imidazol-3-ium-5-carboxylate Traditional Name: 4-(pyridin-1-ium-2-ylcarbamoyl)-1H-imidazol-3-ium-5-carboxylic acid ethyl ester Formula: C12H14N4O3+2 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=CN1)C(=O)NC2=CC=CC=[NH+]2

Isomeric SMILES

CCOC(=O)C1=C([NH+]=CN1)C(=O)NC2=CC=CC=[NH+]2

InChI

InChI=1S/C12H12N4O3/c1-2-19-12(18)10-9(14-7-15-10)11(17)16-8-5-3-4-6-13-8/h3-7H,2H2,1H3,(H,14,15)(H,13,16,17)/p+2