1-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-nitro-1H-pyrazol-5-yl)piperazin-1-ium Traditional Name: 1-(4-nitro-1H-pyrazol-5-yl)-4-piperonyl-piperazin-4-ium Formula: C15H18N5O4+ MolecularWeight: 332.33452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C=NN4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=C(C=NN4)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4/c21-20(22)12-8-16-17-15(12)19-5-3-18(4-6-19)9-11-1-2-13-14(7-11)24-10-23-13/h1-2,7-8H,3-6,9-10H2,(H,16,17)/p+1