2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide

Systemtic Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide Openeye Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide CAS Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(methylthio)ethyl]acetamide IUPAC Name: 2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide Traditional Name: 2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C16H30N3O2S+ MolecularWeight: 328.4933

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)CC1C(=O)NCC[NH+]1CC2CCCCC2

Isomeric SMILES

CSCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2CCCCC2

InChI

InChI=1S/C16H29N3O2S/c1-22-10-8-17-15(20)11-14-16(21)18-7-9-19(14)12-13-5-3-2-4-6-13/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21)/p+1/t14-/m1/s1