1-butyl-3-[[3-[(1-butylpyridin-1-ium-3-yl)methyl]-1H-1,2,4-triazol-5-yl]methyl]pyridin-1-ium

Systemtic Name: 1-butyl-3-[[3-[(1-butylpyridin-1-ium-3-yl)methyl]-1H-1,2,4-triazol-5-yl]methyl]pyridin-1-ium Openeye Name: 1-butyl-3-[[3-[(1-butylpyridin-1-ium-3-yl)methyl]-1H-1,2,4-triazol-5-yl]methyl]pyridin-1-ium CAS Name: 1-butyl-3-[[3-[(1-butyl-3-pyridin-1-iumyl)methyl]-1H-1,2,4-triazol-5-yl]methyl]pyridin-1-ium IUPAC Name: 1-butyl-3-[[3-[(1-butylpyridin-1-ium-3-yl)methyl]-1H-1,2,4-triazol-5-yl]methyl]pyridin-1-ium Traditional Name: 1-butyl-3-[[3-[(1-butylpyridin-1-ium-3-yl)methyl]-1H-1,2,4-triazol-5-yl]methyl]pyridin-1-ium Formula: C22H31N5+2 MolecularWeight: 365.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC(=C1)CC2=NC(=NN2)CC3=C[N+](=CC=C3)CCCC

Isomeric SMILES

CCCC[N+]1=CC=CC(=C1)CC2=NC(=NN2)CC3=C[N+](=CC=C3)CCCC

InChI

InChI=1S/C22H31N5/c1-3-5-11-26-13-7-9-19(17-26)15-21-23-22(25-24-21)16-20-10-8-14-27(18-20)12-6-4-2/h7-10,13-14,17-18H,3-6,11-12,15-16H2,1-2H3,(H,23,24,25)/q+2