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

Systemtic Name: 2-[4-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[2-(3,4-difluorophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[2-[(3,4-difluorophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H24F2N3O2S+ MolecularWeight: 420.495966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H23F2N3O2S/c1-15-2-4-16(5-3-15)24-20(27)13-25-8-10-26(11-9-25)21(28)14-29-17-6-7-18(22)19(23)12-17/h2-7,12H,8-11,13-14H2,1H3,(H,24,27)/p+1