N'-[2-(1,2-benzoxazol-3-yl)ethanoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide

Systemtic Name: N'-[2-(1,2-benzoxazol-3-yl)ethanoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide Openeye Name: N'-[2-(1,2-benzoxazol-3-yl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide CAS Name: N'-[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]-3-(4-phenyl-1-piperazin-1-iumyl)propanehydrazide IUPAC Name: N'-[2-(1,2-benzoxazol-3-yl)acetyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide Traditional Name: N'-(2-indoxazen-3-ylacetyl)-3-(4-phenylpiperazin-1-ium-1-yl)propionohydrazide Formula: C22H26N5O3+ MolecularWeight: 408.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC(=O)CC2=NOC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC(=O)CC2=NOC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3/c28-21(10-11-26-12-14-27(15-13-26)17-6-2-1-3-7-17)23-24-22(29)16-19-18-8-4-5-9-20(18)30-25-19/h1-9H,10-16H2,(H,23,28)(H,24,29)/p+1