1-thiophen-2-yl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-thiophen-2-yl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2-thienyl)-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,4-dione CAS Name: 1-thiophen-2-yl-4-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-thiophen-2-yl-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2-thienyl)-4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]butane-1,4-dione Formula: C18H19F3N3O2S+ MolecularWeight: 398.42257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O2S/c19-18(20,21)13-3-5-16(22-12-13)23-7-9-24(10-8-23)17(26)6-4-14(25)15-2-1-11-27-15/h1-3,5,11-12H,4,6-10H2/p+1