2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)ethyl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NCCSC3=CC=CC=C3

InChI

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