2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)ethyl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-26-20-10-6-5-9-19(20)24-14-12-23(13-15-24)17-21(25)22-11-16-27-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,22,25)/p+1