2-[4-[2-(5-tert-butyl-2-methyl-phenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[2-(5-tert-butyl-2-methyl-phenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[2-(5-tert-butyl-2-methyl-phenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[2-[(5-tert-butyl-2-methylphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[2-[(5-tert-butyl-2-methyl-phenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C20H32N3O2S+ MolecularWeight: 378.55198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-15-6-7-16(20(2,3)4)12-17(15)26-14-19(25)23-10-8-22(9-11-23)13-18(24)21-5/h6-7,12H,8-11,13-14H2,1-5H3,(H,21,24)/p+1