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

Systemtic Name: N-(4-bromophenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-bromophenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-(4-fluorobenzyl)piperazin-4-ium-1-carbothioamide Formula: C18H20BrFN3S+ MolecularWeight: 409.338903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H19BrFN3S/c19-15-3-7-17(8-4-15)21-18(24)23-11-9-22(10-12-23)13-14-1-5-16(20)6-2-14/h1-8H,9-13H2,(H,21,24)/p+1