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

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-phenethyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-phenethylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-phenethyl-piperazin-4-ium-1-carbothioamide Formula: C26H28F2N3S+ MolecularWeight: 452.582426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H27F2N3S/c27-23-10-6-21(7-11-23)25(22-8-12-24(28)13-9-22)30-16-18-31(19-17-30)26(32)29-15-14-20-4-2-1-3-5-20/h1-13,25H,14-19H2,(H,29,32)/p+1