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

Systemtic Name: N-(3-methoxypropyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Openeye Name: N-(3-methoxypropyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide CAS Name: N-(3-methoxypropyl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-methoxypropyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Traditional Name: N-(3-methoxypropyl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Formula: C15H22F3N4OS+ MolecularWeight: 363.42159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21F3N4OS/c1-23-10-2-5-19-14(24)22-8-6-21(7-9-22)13-4-3-12(11-20-13)15(16,17)18/h3-4,11H,2,5-10H2,1H3,(H,19,24)/p+1