1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridin-1-ium

Systemtic Name: 1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridin-1-ium Openeye Name: 1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridin-1-ium CAS Name: 1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridin-1-ium IUPAC Name: 1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridin-1-ium Traditional Name: 1-methyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridin-1-ium Formula: C14H13N4+ MolecularWeight: 237.27982

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=NC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=NC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C14H12N4/c1-18-9-7-12(8-10-18)14-15-13(16-17-14)11-5-3-2-4-6-11/h2-10H,1H3/p+1