5-aminocarbonyl-3-methyl-1-(phenylmethyl)imidazol-3-ium-4-olate

Systemtic Name: 5-aminocarbonyl-3-methyl-1-(phenylmethyl)imidazol-3-ium-4-olate Openeye Name: 1-benzyl-5-carbamoyl-3-methyl-imidazol-3-ium-4-olate CAS Name: 5-carbamoyl-3-methyl-1-(phenylmethyl)-4-imidazol-3-iumolate IUPAC Name: 1-benzyl-5-carbamoyl-3-methylimidazol-3-ium-4-olate Traditional Name: 1-benzyl-5-carbamoyl-3-methyl-imidazol-3-ium-4-olate Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C(=C1[O-])C(=O)N)CC2=CC=CC=C2

Isomeric SMILES

C[N+]1=CN(C(=C1[O-])C(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O2/c1-14-8-15(10(11(13)16)12(14)17)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H2-,13,16,17)