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

Systemtic Name: N-(2-ethylphenyl)-2-[4-(2-thiophen-2-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(2-thienylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[1-oxo-2-(thiophen-2-ylthio)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(2-thiophen-2-ylsulfanylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(2-thienylthio)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CS3

InChI

InChI=1S/C20H25N3O2S2/c1-2-16-6-3-4-7-17(16)21-18(24)14-22-9-11-23(12-10-22)19(25)15-27-20-8-5-13-26-20/h3-8,13H,2,9-12,14-15H2,1H3,(H,21,24)/p+1