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

Systemtic Name: 3,5-bis[[3-(phenylmethyl)imidazol-3-ium-1-yl]methyl]-1H-1,2,4-triazole Openeye Name: 3,5-bis[(3-benzylimidazol-3-ium-1-yl)methyl]-1H-1,2,4-triazole CAS Name: 3,5-bis[[3-(phenylmethyl)-1-imidazol-3-iumyl]methyl]-1H-1,2,4-triazole IUPAC Name: 3,5-bis[(3-benzylimidazol-3-ium-1-yl)methyl]-1H-1,2,4-triazole Traditional Name: 3,5-bis[(3-benzylimidazol-3-ium-1-yl)methyl]-1H-1,2,4-triazole Formula: C24H25N7+2 MolecularWeight: 411.5022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C=C2)CC3=NC(=NN3)CN4C=C[N+](=C4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C=C2)CC3=NC(=NN3)CN4C=C[N+](=C4)CC5=CC=CC=C5

InChI

InChI=1S/C24H25N7/c1-3-7-21(8-4-1)15-28-11-13-30(19-28)17-23-25-24(27-26-23)18-31-14-12-29(20-31)16-22-9-5-2-6-10-22/h1-14,19-20H,15-18H2,(H,25,26,27)/q+2