methyl 3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 3-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 3-[[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=C(C=CO1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CO1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

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