ethyl 4-[(phenylmethyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate

Systemtic Name: ethyl 4-[(phenylmethyl)carbamoyl]-1H-imidazol-3-ium-5-carboxylate Openeye Name: ethyl 4-(benzylcarbamoyl)-1H-imidazol-3-ium-5-carboxylate CAS Name: 4-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-3-ium-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzylcarbamoyl)-1H-imidazol-3-ium-5-carboxylate Traditional Name: 4-(benzylcarbamoyl)-1H-imidazol-3-ium-5-carboxylic acid ethyl ester Formula: C14H16N3O3+ MolecularWeight: 274.29514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=CN1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C([NH+]=CN1)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O3/c1-2-20-14(19)12-11(16-9-17-12)13(18)15-8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,18)(H,16,17)/p+1