4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[(2S)-2-methylbutyl]piperazine-1-carbothioamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[(2S)-2-methylbutyl]piperazine-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[(2S)-2-methylbutyl]piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-[(2S)-2-methylbutyl]-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[(2S)-2-methylbutyl]piperazine-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-[(2S)-2-methylbutyl]piperazine-1-carbothioamide Formula: C16H23ClF3N4S+ MolecularWeight: 395.89383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=S)N1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

CC[C@H](C)CNC(=S)N1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C16H22ClF3N4S/c1-3-11(2)9-22-15(25)24-6-4-23(5-7-24)14-13(17)8-12(10-21-14)16(18,19)20/h8,10-11H,3-7,9H2,1-2H3,(H,22,25)/p+1/t11-/m0/s1