4-(diphenylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carbothioamide Formula: C25H25F3N3S+ MolecularWeight: 456.54631

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H24F3N3S/c26-25(27,28)21-12-7-13-22(18-21)29-24(32)31-16-14-30(15-17-31)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,29,32)/p+1