methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C24H25F2N2O3+ MolecularWeight: 427.463706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(OC=C1)C[NH+]2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24F2N2O3/c1-30-24(29)21-10-15-31-22(21)16-27-11-13-28(14-12-27)23(17-2-6-19(25)7-3-17)18-4-8-20(26)9-5-18/h2-10,15,23H,11-14,16H2,1H3/p+1