(2S)-2-(4-bromanylphenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propanehydrazide

Systemtic Name: (2S)-2-(4-bromanylphenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propanehydrazide Openeye Name: (2S)-2-(4-bromophenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propanehydrazide CAS Name: (2S)-2-(4-bromophenoxy)-N'-[1-oxo-3-(4-phenyl-1-piperazin-1-iumyl)propyl]propanehydrazide IUPAC Name: (2S)-2-(4-bromophenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propanehydrazide Traditional Name: (2S)-2-(4-bromophenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propionohydrazide Formula: C22H28BrN4O3+ MolecularWeight: 476.38672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NNC(=O)CC[NH+]1CCN(CC1)C2=CC=CC=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN4O3/c1-17(30-20-9-7-18(23)8-10-20)22(29)25-24-21(28)11-12-26-13-15-27(16-14-26)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,24,28)(H,25,29)/p+1/t17-/m0/s1