(E)-3-thiophen-2-yl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-thiophen-2-yl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-thienyl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-thiophen-2-yl-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-thiophen-2-yl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-thienyl)-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]prop-2-en-1-one Formula: C17H17F3N3OS+ MolecularWeight: 368.39659

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C17H16F3N3OS/c18-17(19,20)13-3-5-15(21-12-13)22-7-9-23(10-8-22)16(24)6-4-14-2-1-11-25-14/h1-6,11-12H,7-10H2/p+1/b6-4+