2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylbenzoate Openeye Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzoate CAS Name: 2-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]benzoate IUPAC Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzoate Formula: C18H16F3N3O3 MolecularWeight: 379.33315

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C18H16F3N3O3/c19-18(20,21)12-5-6-15(22-11-12)23-7-9-24(10-8-23)16(25)13-3-1-2-4-14(13)17(26)27/h1-6,11H,7-10H2,(H,26,27)