2-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]thio]acetate Formula: C15H18ClFN2O3S MolecularWeight: 360.831423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)CSCC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)CSCC(=O)[O-]

InChI

InChI=1S/C15H18ClFN2O3S/c16-12-2-1-3-13(17)11(12)8-18-4-6-19(7-5-18)14(20)9-23-10-15(21)22/h1-3H,4-10H2,(H,21,22)