1-methyl-4-[6-(1-methyl-3-phenyl-1,2,4-triazol-4-ium-4-yl)hexyl]-3-phenyl-1,2,4-triazol-4-ium

Systemtic Name: 1-methyl-4-[6-(1-methyl-3-phenyl-1,2,4-triazol-4-ium-4-yl)hexyl]-3-phenyl-1,2,4-triazol-4-ium Openeye Name: 1-methyl-4-[6-(1-methyl-3-phenyl-1,2,4-triazol-4-ium-4-yl)hexyl]-3-phenyl-1,2,4-triazol-4-ium CAS Name: 1-methyl-4-[6-(1-methyl-3-phenyl-1,2,4-triazol-4-ium-4-yl)hexyl]-3-phenyl-1,2,4-triazol-4-ium IUPAC Name: 1-methyl-4-[6-(1-methyl-3-phenyl-1,2,4-triazol-4-ium-4-yl)hexyl]-3-phenyl-1,2,4-triazol-4-ium Traditional Name: 1-methyl-4-[6-(1-methyl-3-phenyl-1,2,4-triazol-4-ium-4-yl)hexyl]-3-phenyl-1,2,4-triazol-4-ium Formula: C24H30N6+2 MolecularWeight: 402.5352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C(=N1)C2=CC=CC=C2)CCCCCC[N+]3=CN(N=C3C4=CC=CC=C4)C

Isomeric SMILES

CN1C=[N+](C(=N1)C2=CC=CC=C2)CCCCCC[N+]3=CN(N=C3C4=CC=CC=C4)C

InChI

InChI=1S/C24H30N6/c1-27-19-29(23(25-27)21-13-7-5-8-14-21)17-11-3-4-12-18-30-20-28(2)26-24(30)22-15-9-6-10-16-22/h5-10,13-16,19-20H,3-4,11-12,17-18H2,1-2H3/q+2