sodium 6-(1-imidazol-1-ylethyl)-1H-benzimidazole-2-carboxylate

Systemtic Name: sodium 6-(1-imidazol-1-ylethyl)-1H-benzimidazole-2-carboxylate Openeye Name: sodium 6-(1-imidazol-1-ylethyl)-1H-benzimidazole-2-carboxylate CAS Name: sodium 6-[1-(1-imidazolyl)ethyl]-1H-benzimidazole-2-carboxylate IUPAC Name: sodium 6-(1-imidazol-1-ylethyl)-1H-benzimidazole-2-carboxylate Traditional Name: sodium 6-(1-imidazol-1-ylethyl)-1H-benzimidazole-2-carboxylate Formula: C13H11N4NaO2 MolecularWeight: 278.24181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N=C(N2)C(=O)[O-])N3C=CN=C3.[Na+]

Isomeric SMILES

CC(C1=CC2=C(C=C1)N=C(N2)C(=O)[O-])N3C=CN=C3.[Na+]

InChI

InChI=1S/C13H12N4O2.Na/c1-8(17-5-4-14-7-17)9-2-3-10-11(6-9)16-12(15-10)13(18)19;/h2-8H,1H3,(H,15,16)(H,18,19);/q;+1/p-1