ethanedioate; 6-(1-imidazol-1-yl-2-methyl-propyl)-1H-benzimidazole

Systemtic Name: ethanedioate; 6-(1-imidazol-1-yl-2-methyl-propyl)-1H-benzimidazole Openeye Name: 6-(1-imidazol-1-yl-2-methyl-propyl)-1H-benzimidazole; oxalate CAS Name: 6-[1-(1-imidazolyl)-2-methylpropyl]-1H-benzimidazole; oxalate IUPAC Name: 6-(1-imidazol-1-yl-2-methylpropyl)-1H-benzimidazole; oxalate Traditional Name: 6-(1-imidazol-1-yl-2-methyl-propyl)-1H-benzimidazole; oxalate Formula: C16H16N4O4-2 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)N=CN2)N3C=CN=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)N=CN2)N3C=CN=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C14H16N4.C2H2O4/c1-10(2)14(18-6-5-15-9-18)11-3-4-12-13(7-11)17-8-16-12;3-1(4)2(5)6/h3-10,14H,1-2H3,(H,16,17);(H,3,4)(H,5,6)/p-2