methyl 5-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H19F3N3O3+ MolecularWeight: 370.34627

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O3/c1-25-16(24)14-4-3-13(26-14)11-22-6-8-23(9-7-22)15-5-2-12(10-21-15)17(18,19)20/h2-5,10H,6-9,11H2,1H3/p+1