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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C19H25ClFN4S+ MolecularWeight: 395.945003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CC1=CC=C(N1CC[NH+]2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl)C

InChI

InChI=1S/C19H24ClFN4S/c1-14-3-4-15(2)25(14)12-9-23-7-10-24(11-8-23)19(26)22-16-5-6-18(21)17(20)13-16/h3-6,13H,7-12H2,1-2H3,(H,22,26)/p+1