N-(3-chloranyl-4-fluoranyl-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-(3-chloro-4-fluoro-phenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-(3-chloro-4-fluoro-phenyl)piperazin-4-ium-1-carbothioamide Formula: C18H20ClFN3S+ MolecularWeight: 364.887903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN3S/c19-16-12-15(6-7-17(16)20)21-18(24)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)/p+1