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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-(4-piperonylpiperazin-4-ium-1-yl)-1H-1,2,4-triazol-5-yl]amine Formula: C14H19N6O2+ MolecularWeight: 303.33966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NNC(=N4)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NNC(=N4)N

InChI

InChI=1S/C14H18N6O2/c15-13-16-14(18-17-13)20-5-3-19(4-6-20)8-10-1-2-11-12(7-10)22-9-21-11/h1-2,7H,3-6,8-9H2,(H3,15,16,17,18)/p+1