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

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCSCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCSCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O2S/c1-2-28-22-11-7-6-10-21(22)26-15-13-25(14-16-26)18-23(27)24-12-17-29-19-20-8-4-3-5-9-20/h3-11H,2,12-19H2,1H3,(H,24,27)/p+1