N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-cyanobenzyl)piperazin-4-ium-1-carbothioamide Formula: C19H19ClFN4S+ MolecularWeight: 389.897363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClFN4S/c20-17-11-16(5-6-18(17)21)23-19(26)25-9-7-24(8-10-25)13-15-3-1-14(12-22)2-4-15/h1-6,11H,7-10,13H2,(H,23,26)/p+1