2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(2-morpholino-2-oxo-ethyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-1-iumyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-(2-keto-2-morpholino-ethyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)CC(=O)N4CCOCC4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)CC(=O)N4CCOCC4

InChI

InChI=1S/C24H30N4O3S/c29-23(25-21-8-4-5-9-22(21)32-20-6-2-1-3-7-20)18-26-10-12-27(13-11-26)19-24(30)28-14-16-31-17-15-28/h1-9H,10-19H2,(H,25,29)/p+1