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

Systemtic Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide CAS Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(methylthio)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide Traditional Name: 2-[(2R)-1-(3-fluorobenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C16H23FN3O2S+ MolecularWeight: 340.436123

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)CC1C(=O)NCC[NH+]1CC2=CC(=CC=C2)F

Isomeric SMILES

CSCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC(=CC=C2)F

InChI

InChI=1S/C16H22FN3O2S/c1-23-8-6-18-15(21)10-14-16(22)19-5-7-20(14)11-12-3-2-4-13(17)9-12/h2-4,9,14H,5-8,10-11H2,1H3,(H,18,21)(H,19,22)/p+1/t14-/m1/s1