2-[4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-[(3,4-difluorophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C17H24F2N3O2S+ MolecularWeight: 372.453166

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC(=C(C=C2)F)F

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)CSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C17H23F2N3O2S/c1-2-5-20-16(23)11-21-6-8-22(9-7-21)17(24)12-25-13-3-4-14(18)15(19)10-13/h3-4,10H,2,5-9,11-12H2,1H3,(H,20,23)/p+1