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

Systemtic Name: 5-dodecyl-1-phenyl-[1,2,3]triazolo[4,5-c]pyridin-5-ium bromide Openeye Name: 5-dodecyl-1-phenyl-triazolo[4,5-c]pyridin-5-ium bromide CAS Name: 5-dodecyl-1-phenyltriazolo[4,5-c]pyridin-5-ium bromide IUPAC Name: 5-dodecyl-1-phenyltriazolo[4,5-c]pyridin-5-ium bromide Traditional Name: 5-lauryl-1-phenyl-triazolo[4,5-c]pyridin-5-ium bromide Formula: C23H33BrN4 MolecularWeight: 445.43892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC2=C(C=C1)N(N=N2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC2=C(C=C1)N(N=N2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H33N4.BrH/c1-2-3-4-5-6-7-8-9-10-14-18-26-19-17-23-22(20-26)24-25-27(23)21-15-12-11-13-16-21;/h11-13,15-17,19-20H,2-10,14,18H2,1H3;1H/q+1;/p-1