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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-pyridylmethyl)piperazin-4-ium-1-carbothioamide Formula: C17H19ClFN4S+ MolecularWeight: 365.875963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClFN4S/c18-15-11-14(1-2-16(15)19)21-17(24)23-9-7-22(8-10-23)12-13-3-5-20-6-4-13/h1-6,11H,7-10,12H2,(H,21,24)/p+1