4-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]-1-methyl-2,3-dihydropyridin-3-ylium

Systemtic Name: 4-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]-1-methyl-2,3-dihydropyridin-3-ylium Openeye Name: 4-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]-1-methyl-2,3-dihydropyridin-3-ylium CAS Name: 4-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]-1-methyl-2,3-dihydropyridin-3-ylium IUPAC Name: 4-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]-1-methyl-2,3-dihydropyridin-3-ylium Traditional Name: 4-[3-(3-chlorophenyl)-1,2,4-triazol-1-yl]-1-methyl-2,3-dihydropyridin-3-ylium Formula: C14H12ClN4+ MolecularWeight: 271.72488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C[C+]=C(C=C1)N2C=NC(=N2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C[C+]=C(C=C1)N2C=NC(=N2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H12ClN4/c1-18-7-5-13(6-8-18)19-10-16-14(17-19)11-3-2-4-12(15)9-11/h2-5,7,9-10H,8H2,1H3/q+1