4,5,6-tri(pyridin-1-ium-1-yl)-1,2,3-triazine trichloride

Systemtic Name: 4,5,6-tri(pyridin-1-ium-1-yl)-1,2,3-triazine trichloride Openeye Name: 4,5,6-tri(pyridin-1-ium-1-yl)triazine trichloride CAS Name: 4,5,6-tris(1-pyridin-1-iumyl)triazine trichloride IUPAC Name: 4,5,6-tri(pyridin-1-ium-1-yl)triazine trichloride Traditional Name: 4,5,6-tri(pyridin-1-ium-1-yl)triazine trichloride Formula: C18H15Cl3N6 MolecularWeight: 421.7109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(N=NN=C2[N+]3=CC=CC=C3)[N+]4=CC=CC=C4.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(N=NN=C2[N+]3=CC=CC=C3)[N+]4=CC=CC=C4.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C18H15N6.3ClH/c1-4-10-22(11-5-1)16-17(23-12-6-2-7-13-23)19-21-20-18(16)24-14-8-3-9-15-24;;;/h1-15H;3*1H/q+3;;;/p-3