3-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine

Systemtic Name: 3-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine Openeye Name: 3-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine CAS Name: 3-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine IUPAC Name: 3-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-amine Traditional Name: (3-methyl-5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl)amine Formula: C18H16N5+ MolecularWeight: 302.35314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=N[N+]2=C(C=C(N=C12)C3=CC=CC=C3)C4=CC=CC=C4)N

Isomeric SMILES

CN1C(=N[N+]2=C(C=C(N=C12)C3=CC=CC=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C18H16N5/c1-22-17(19)21-23-16(14-10-6-3-7-11-14)12-15(20-18(22)23)13-8-4-2-5-9-13/h2-12H,1H3,(H2,19,21)/q+1