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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Traditional Name: N-p-anisyl-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbothioamide Formula: C19H22F3N4OS+ MolecularWeight: 411.46439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H21F3N4OS/c1-27-16-5-2-14(3-6-16)12-24-18(28)26-10-8-25(9-11-26)17-7-4-15(13-23-17)19(20,21)22/h2-7,13H,8-12H2,1H3,(H,24,28)/p+1