N-[4-[(3R)-5-pyrazin-4-ium-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(3R)-5-pyrazin-4-ium-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl]phenyl]ethanamide Openeye Name: N-[4-[(3R)-5-pyrazin-4-ium-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl]phenyl]acetamide CAS Name: N-[4-[(3R)-5-(2-pyrazin-4-iumyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]phenyl]acetamide IUPAC Name: N-[4-[(3R)-5-pyrazin-4-ium-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl]phenyl]acetamide Traditional Name: N-[4-[(3R)-5-pyrazin-4-ium-2-yl-2,3-dihydro-1H-1,2,4-triazol-3-yl]phenyl]acetamide Formula: C14H15N6O+ MolecularWeight: 283.3085

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2NNC(=N2)C3=NC=C[NH+]=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@H]2NNC(=N2)C3=NC=C[NH+]=C3

InChI

InChI=1S/C14H14N6O/c1-9(21)17-11-4-2-10(3-5-11)13-18-14(20-19-13)12-8-15-6-7-16-12/h2-8,13,19H,1H3,(H,17,21)(H,18,20)/p+1/t13-/m1/s1