N-(1,3-benzodioxol-5-yl)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-carbothioamide Formula: C19H20ClFN3O2S+ MolecularWeight: 408.897403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19ClFN3O2S/c20-16-9-14(21)2-1-13(16)11-23-5-7-24(8-6-23)19(27)22-15-3-4-17-18(10-15)26-12-25-17/h1-4,9-10H,5-8,11-12H2,(H,22,27)/p+1