2-[(3R)-3-pyridin-3-yl-2,3-dihydro-1H-1,2,4-triazol-4-ium-5-yl]-5-(trifluoromethyl)pyridine

Systemtic Name: 2-[(3R)-3-pyridin-3-yl-2,3-dihydro-1H-1,2,4-triazol-4-ium-5-yl]-5-(trifluoromethyl)pyridine Openeye Name: 2-[(3R)-3-(3-pyridyl)-2,3-dihydro-1H-1,2,4-triazol-4-ium-5-yl]-5-(trifluoromethyl)pyridine CAS Name: 2-[(3R)-3-(3-pyridinyl)-2,3-dihydro-1H-1,2,4-triazol-4-ium-5-yl]-5-(trifluoromethyl)pyridine IUPAC Name: 2-[(3R)-3-pyridin-3-yl-2,3-dihydro-1H-1,2,4-triazol-4-ium-5-yl]-5-(trifluoromethyl)pyridine Traditional Name: 2-[(3R)-3-(3-pyridyl)-2,3-dihydro-1H-1,2,4-triazol-4-ium-5-yl]-5-(trifluoromethyl)pyridine Formula: C13H11F3N5+ MolecularWeight: 294.25515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2NNC(=[NH+]2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)[C@H]2NNC(=[NH+]2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C13H10F3N5/c14-13(15,16)9-3-4-10(18-7-9)12-19-11(20-21-12)8-2-1-5-17-6-8/h1-7,11,20H,(H,19,21)/p+1/t11-/m1/s1