(2-methoxy-4-methylsulfanyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C19H21F3N3O2S+ MolecularWeight: 412.44915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O2S/c1-27-16-11-14(28-2)4-5-15(16)18(26)25-9-7-24(8-10-25)17-6-3-13(12-23-17)19(20,21)22/h3-6,11-12H,7-10H2,1-2H3/p+1