N-(2,6-dimethylphenyl)-2-[4-(2-methylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-methylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-methylsulfanylacetyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[2-(methylthio)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-methylsulfanylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(methylthio)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC

InChI

InChI=1S/C17H25N3O2S/c1-13-5-4-6-14(2)17(13)18-15(21)11-19-7-9-20(10-8-19)16(22)12-23-3/h4-6H,7-12H2,1-3H3,(H,18,21)/p+1