(E)-3-phenyl-1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-phenyl-1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-phenyl-1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-phenyl-1-[4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-phenyl-1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-phenyl-1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]prop-2-en-1-one Formula: C19H19F3N3O+ MolecularWeight: 362.36887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C(F)(F)F)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C(F)(F)F)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C19H18F3N3O/c20-19(21,22)16-7-4-10-23-18(16)25-13-11-24(12-14-25)17(26)9-8-15-5-2-1-3-6-15/h1-10H,11-14H2/p+1/b9-8+