(4-nitro-1H-pyrazol-5-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-nitro-1H-pyrazol-5-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-nitro-1H-pyrazol-5-yl)methanone CAS Name: (4-nitro-1H-pyrazol-5-yl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-nitro-1H-pyrazol-5-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-nitro-1H-pyrazol-5-yl)methanone Formula: C15H18N5O3+ MolecularWeight: 316.33512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C=NN3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C=NN3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3/c21-15(14-13(20(22)23)10-16-17-14)19-8-6-18(7-9-19)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,16,17)/p+1