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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

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