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

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(3-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(m-tolyl)piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-N-(3-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(3-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-N-(m-tolyl)piperazine-1-carbothioamide Formula: C18H19ClF3N4S+ MolecularWeight: 415.88347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C18H18ClF3N4S/c1-12-3-2-4-14(9-12)24-17(27)26-7-5-25(6-8-26)16-15(19)10-13(11-23-16)18(20,21)22/h2-4,9-11H,5-8H2,1H3,(H,24,27)/p+1