4-[bis(4-fluorophenyl)methyl]-N-methyl-piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C19H22F2N3S+ MolecularWeight: 362.459886

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CNC(=S)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H21F2N3S/c1-22-19(25)24-12-10-23(11-13-24)18(14-2-6-16(20)7-3-14)15-4-8-17(21)9-5-15/h2-9,18H,10-13H2,1H3,(H,22,25)/p+1