N-tert-butyl-2-[4-[2-(2,4-dimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(2,4-dimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(2,4-dimethylphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(2,4-dimethylphenyl)thio]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)SCC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C)C

Isomeric SMILES

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

InChI

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