3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]-1H-1,2,4-triazole

Systemtic Name: 3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]-1H-1,2,4-triazole Openeye Name: 3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]-1H-1,2,4-triazole CAS Name: 3,5-bis[(3-methyl-1-imidazol-3-iumyl)methyl]-1H-1,2,4-triazole IUPAC Name: 3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]-1H-1,2,4-triazole Traditional Name: 3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]-1H-1,2,4-triazole Formula: C12H17N7+2 MolecularWeight: 259.31028

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=NC(=NN2)CN3C=C[N+](=C3)C

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=NC(=NN2)CN3C=C[N+](=C3)C

InChI

InChI=1S/C12H17N7/c1-16-3-5-18(9-16)7-11-13-12(15-14-11)8-19-6-4-17(2)10-19/h3-6,9-10H,7-8H2,1-2H3,(H,13,14,15)/q+2