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

Systemtic Name: 4-(2-methyl-1-pyridin-4-yl-3H-1,2,4-triazol-3-yl)-1-oxidanidyl-pyridin-1-ium Openeye Name: 4-[2-methyl-1-(4-pyridyl)-3H-1,2,4-triazol-3-yl]-1-oxido-pyridin-1-ium CAS Name: 4-(2-methyl-1-pyridin-4-yl-3H-1,2,4-triazol-3-yl)-1-oxidopyridin-1-ium IUPAC Name: 4-(2-methyl-1-pyridin-4-yl-3H-1,2,4-triazol-3-yl)-1-oxidopyridin-1-ium Traditional Name: 4-[2-methyl-1-(4-pyridyl)-3H-1,2,4-triazol-3-yl]-1-oxido-pyridin-1-ium Formula: C13H13N5O MolecularWeight: 255.27522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(N=CN1C2=CC=NC=C2)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CN1C(N=CN1C2=CC=NC=C2)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C13H13N5O/c1-16-13(11-4-8-17(19)9-5-11)15-10-18(16)12-2-6-14-7-3-12/h2-10,13H,1H3