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

Systemtic Name: methyl 5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C18H19F3N3O5+ MolecularWeight: 414.35577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3N3O5/c1-28-17(25)16-5-3-13(29-16)11-22-6-8-23(9-7-22)14-4-2-12(18(19,20)21)10-15(14)24(26)27/h2-5,10H,6-9,11H2,1H3/p+1