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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(2-thienylmethylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(2-thenylthio)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O2S2+ MolecularWeight: 418.59592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSCC3=CC=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSCC3=CC=CS3

InChI

InChI=1S/C21H27N3O2S2/c1-2-17-6-3-4-8-19(17)22-20(25)14-23-9-11-24(12-10-23)21(26)16-27-15-18-7-5-13-28-18/h3-8,13H,2,9-12,14-16H2,1H3,(H,22,25)/p+1