N-[4-[2-oxidanylidene-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[2-oxidanylidene-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[2-oxo-2-(4-phenethyl-1-piperazin-4-iumyl)ethyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-keto-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]thio]phenyl]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-18(26)23-20-7-9-21(10-8-20)28-17-22(27)25-15-13-24(14-16-25)12-11-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,23,26)/p+1