2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide CAS Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(methylthio)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-methylsulfanylethyl)acetamide Traditional Name: 2-[(2R)-1-(2-fluoro-4-methoxy-benzyl)-3-keto-piperazin-1-ium-2-yl]-N-[2-(methylthio)ethyl]acetamide Formula: C17H25FN3O3S+ MolecularWeight: 370.462103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCSC)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCSC)F

InChI

InChI=1S/C17H24FN3O3S/c1-24-13-4-3-12(14(18)9-13)11-21-7-5-20-17(23)15(21)10-16(22)19-6-8-25-2/h3-4,9,15H,5-8,10-11H2,1-2H3,(H,19,22)(H,20,23)/p+1/t15-/m1/s1