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

Systemtic Name: N-propan-2-yl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-isopropyl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[1-oxo-2-[(2,4,6-trimethylphenyl)thio]ethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: N-propan-2-yl-2-[4-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-isopropyl-2-[4-[2-(mesitylthio)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-14(2)21-18(24)12-22-6-8-23(9-7-22)19(25)13-26-20-16(4)10-15(3)11-17(20)5/h10-11,14H,6-9,12-13H2,1-5H3,(H,21,24)/p+1