N-(2-ethylphenyl)-2-[4-(4-methylsulfanylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(4-methylsulfanylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(4-methylsulfanylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[4-(methylthio)phenyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(4-methylsulfanylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[4-(methylthio)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-3-17-6-4-5-7-20(17)23-21(26)16-24-12-14-25(15-13-24)22(27)18-8-10-19(28-2)11-9-18/h4-11H,3,12-16H2,1-2H3,(H,23,26)/p+1