ethyl 4-[(6-azanylpyridin-1-ium-2-yl)carbamoyl]-1H-imidazole-5-carboxylate

Systemtic Name: ethyl 4-[(6-azanylpyridin-1-ium-2-yl)carbamoyl]-1H-imidazole-5-carboxylate Openeye Name: ethyl 4-[(6-aminopyridin-1-ium-2-yl)carbamoyl]-1H-imidazole-5-carboxylate CAS Name: 4-[[(6-amino-2-pyridin-1-iumyl)amino]-oxomethyl]-1H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-aminopyridin-1-ium-2-yl)carbamoyl]-1H-imidazole-5-carboxylate Traditional Name: 4-[(6-aminopyridin-1-ium-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid ethyl ester Formula: C12H14N5O3+ MolecularWeight: 276.27126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3/c1-2-20-12(19)10-9(14-6-15-10)11(18)17-8-5-3-4-7(13)16-8/h3-6H,2H2,1H3,(H,14,15)(H3,13,16,17,18)/p+1