3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(4-benzylpiperazin-4-ium-1-yl)-1H-1,2,4-triazol-5-yl]amine Formula: C13H19N6+ MolecularWeight: 259.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NNC(=N3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NNC(=N3)N

InChI

InChI=1S/C13H18N6/c14-12-15-13(17-16-12)19-8-6-18(7-9-19)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H3,14,15,16,17)/p+1