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

Systemtic Name: N-(2-methoxyethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Openeye Name: N-(2-methoxyethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide CAS Name: N-(2-methoxyethyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxyethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Traditional Name: N-(2-methoxyethyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Formula: C14H20F3N4OS+ MolecularWeight: 349.39501

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

COCCNC(=S)N1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C14H19F3N4OS/c1-22-9-4-18-13(23)21-7-5-20(6-8-21)12-3-2-11(10-19-12)14(15,16)17/h2-3,10H,4-9H2,1H3,(H,18,23)/p+1