N-(2-ethylphenyl)-2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(phenylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[1-oxo-2-(phenylmethylthio)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(2-benzylsulfanylacetyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[2-(benzylthio)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-2-20-10-6-7-11-21(20)24-22(27)16-25-12-14-26(15-13-25)23(28)18-29-17-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3,(H,24,27)/p+1