(2S)-N-[4-[bis(fluoranyl)methoxy]phenyl]-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: (2S)-N-[4-[bis(fluoranyl)methoxy]phenyl]-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide Openeye Name: (2S)-N-[4-(difluoromethoxy)phenyl]-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide CAS Name: (2S)-N-[4-(difluoromethoxy)phenyl]-4-methyl-2-phenyl-1-piperazin-4-iumcarbothioamide IUPAC Name: (2S)-N-[4-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazin-4-ium-1-carbothioamide Traditional Name: (2S)-N-[4-(difluoromethoxy)phenyl]-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioamide Formula: C19H22F2N3OS+ MolecularWeight: 378.459286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC(F)F

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C19H21F2N3OS/c1-23-11-12-24(17(13-23)14-5-3-2-4-6-14)19(26)22-15-7-9-16(10-8-15)25-18(20)21/h2-10,17-18H,11-13H2,1H3,(H,22,26)/p+1/t17-/m1/s1