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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18F3N3O/c20-19(21,22)16-5-3-4-15(14-16)7-8-18(26)25-12-10-24(11-13-25)17-6-1-2-9-23-17/h1-9,14H,10-13H2/p+1/b8-7+