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

Systemtic Name: 4-(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-4-ium-3-yl)butane-1,1-diol Openeye Name: 4-[4-methyl-5-(3-pyridyl)-4H-1,2,4-triazol-4-ium-3-yl]butane-1,1-diol CAS Name: 4-[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-4-ium-3-yl]butane-1,1-diol IUPAC Name: 4-(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-4-ium-3-yl)butane-1,1-diol Traditional Name: 4-[4-methyl-5-(3-pyridyl)-4H-1,2,4-triazol-4-ium-3-yl]butane-1,1-diol Formula: C12H17N4O2+ MolecularWeight: 249.28898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(=NN=C1C2=CN=CC=C2)CCCC(O)O

Isomeric SMILES

C[NH+]1C(=NN=C1C2=CN=CC=C2)CCCC(O)O

InChI

InChI=1S/C12H16N4O2/c1-16-10(5-2-6-11(17)18)14-15-12(16)9-4-3-7-13-8-9/h3-4,7-8,11,17-18H,2,5-6H2,1H3/p+1