3-methyl-1,4-diphenyl-1,2,4-triazol-4-ium perchlorate

Systemtic Name: 3-methyl-1,4-diphenyl-1,2,4-triazol-4-ium perchlorate Openeye Name: 3-methyl-1,4-diphenyl-1,2,4-triazol-4-ium perchlorate CAS Name: 3-methyl-1,4-diphenyl-1,2,4-triazol-4-ium perchlorate IUPAC Name: 3-methyl-1,4-diphenyl-1,2,4-triazol-4-ium perchlorate Traditional Name: 3-methyl-1,4-diphenyl-1,2,4-triazol-4-ium perchlorate Formula: C15H14ClN3O4 MolecularWeight: 335.74236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=[N+]1C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=NN(C=[N+]1C2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C15H14N3.ClHO4/c1-13-16-18(15-10-6-3-7-11-15)12-17(13)14-8-4-2-5-9-14;2-1(3,4)5/h2-12H,1H3;(H,2,3,4,5)/q+1;/p-1