4-[bis(4-fluorophenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methoxyethyl)piperazin-4-ium-1-carbothioamide Formula: C21H26F2N3OS+ MolecularWeight: 406.512446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F2N3OS/c1-27-15-10-24-21(28)26-13-11-25(12-14-26)20(16-2-6-18(22)7-3-16)17-4-8-19(23)9-5-17/h2-9,20H,10-15H2,1H3,(H,24,28)/p+1