3-(2-hydroxyphenyl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(2-hydroxyphenyl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 3-(2-hydroxyphenyl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one CAS Name: 3-(2-hydroxyphenyl)-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-hydroxyphenyl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 3-(2-hydroxyphenyl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]propan-1-one Formula: C19H21F3N3O2+ MolecularWeight: 380.38415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCC3=CC=CC=C3O

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)CCC3=CC=CC=C3O

InChI

InChI=1S/C19H20F3N3O2/c20-19(21,22)15-6-7-17(23-13-15)24-9-11-25(12-10-24)18(27)8-5-14-3-1-2-4-16(14)26/h1-4,6-7,13,26H,5,8-12H2/p+1