4-[(R)-(4-chlorophenyl)-phenyl-methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(R)-(4-chlorophenyl)-phenyl-methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(R)-(4-chlorophenyl)-phenyl-methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(4-fluorophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(R)-(4-chlorophenyl)-phenyl-methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carbothioamide Formula: C24H24ClFN3S+ MolecularWeight: 440.983863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClFN3S/c25-20-8-6-19(7-9-20)23(18-4-2-1-3-5-18)28-14-16-29(17-15-28)24(30)27-22-12-10-21(26)11-13-22/h1-13,23H,14-17H2,(H,27,30)/p+1/t23-/m1/s1