N-[3,5-bis(fluoranyl)phenyl]-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-[3,5-bis(fluoranyl)phenyl]-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(3,5-difluorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3,5-difluorophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(3,5-difluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(3,5-difluorophenyl)piperazin-4-ium-1-carbothioamide Formula: C18H20F2N3S+ MolecularWeight: 348.433306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC(=CC(=C3)F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=S)NC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C18H19F2N3S/c19-15-10-16(20)12-17(11-15)21-18(24)23-8-6-22(7-9-23)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2,(H,21,24)/p+1