2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: N-[2-(methylthio)phenyl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H27N3O2S/c1-3-26-19-10-6-5-9-18(19)24-14-12-23(13-15-24)16-21(25)22-17-8-4-7-11-20(17)27-2/h4-11H,3,12-16H2,1-2H3,(H,22,25)/p+1