5-dodecyl-3-methyl-[1,2,3]triazolo[4,5-c]pyridin-5-ium bromide

Systemtic Name: 5-dodecyl-3-methyl-[1,2,3]triazolo[4,5-c]pyridin-5-ium bromide Openeye Name: 5-dodecyl-3-methyl-triazolo[4,5-c]pyridin-5-ium bromide CAS Name: 5-dodecyl-3-methyltriazolo[4,5-c]pyridin-5-ium bromide IUPAC Name: 5-dodecyl-3-methyltriazolo[4,5-c]pyridin-5-ium bromide Traditional Name: 5-lauryl-3-methyl-triazolo[4,5-c]pyridin-5-ium bromide Formula: C18H31BrN4 MolecularWeight: 383.36954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC2=C(C=C1)N=NN2C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC2=C(C=C1)N=NN2C.[Br-]

InChI

InChI=1S/C18H31N4.BrH/c1-3-4-5-6-7-8-9-10-11-12-14-22-15-13-17-18(16-22)21(2)20-19-17;/h13,15-16H,3-12,14H2,1-2H3;1H/q+1;/p-1