N-methyl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-methyl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-methyl-2-[4-[1-oxo-2-[(2,4,6-trimethylphenyl)thio]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[2-(mesitylthio)acetyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)SCC(=O)N2CC[NH+](CC2)CC(=O)NC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)SCC(=O)N2CC[NH+](CC2)CC(=O)NC)C

InChI

InChI=1S/C18H27N3O2S/c1-13-9-14(2)18(15(3)10-13)24-12-17(23)21-7-5-20(6-8-21)11-16(22)19-4/h9-10H,5-8,11-12H2,1-4H3,(H,19,22)/p+1