2-[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(2-ethylsulfanylphenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(2-ethylsulfanylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[2-(ethylthio)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(2-ethylsulfanylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-(ethylthio)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-28-20-11-7-6-10-19(20)22(27)25-14-12-24(13-15-25)17-21(26)23-16-18-8-4-3-5-9-18/h3-11H,2,12-17H2,1H3,(H,23,26)/p+1