N-(3-bromophenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-bromophenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-bromophenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-bromophenyl)-4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-bromophenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-bromophenyl)-4-(2-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=CC=C2F)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=S)NC3=CC(=CC=C3)Br

InChI

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