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

Systemtic Name: 3-[(3R)-3-(4-chlorophenyl)-2,3-dihydro-1H-1,2,4-triazol-5-yl]pyrazin-1-ium Openeye Name: 3-[(3R)-3-(4-chlorophenyl)-2,3-dihydro-1H-1,2,4-triazol-5-yl]pyrazin-1-ium CAS Name: 3-[(3R)-3-(4-chlorophenyl)-2,3-dihydro-1H-1,2,4-triazol-5-yl]pyrazin-1-ium IUPAC Name: 3-[(3R)-3-(4-chlorophenyl)-2,3-dihydro-1H-1,2,4-triazol-5-yl]pyrazin-1-ium Traditional Name: 3-[(3R)-3-(4-chlorophenyl)-2,3-dihydro-1H-1,2,4-triazol-5-yl]pyrazin-1-ium Formula: C12H11ClN5+ MolecularWeight: 260.70224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2NNC(=N2)C3=NC=C[NH+]=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN5/c13-9-3-1-8(2-4-9)11-16-12(18-17-11)10-7-14-5-6-15-10/h1-7,11,17H,(H,16,18)/p+1/t11-/m1/s1