(2R)-4-(4-tert-butylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-(4-tert-butylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-tert-butylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-4-oxo-butanoate CAS Name: (2R)-4-(4-tert-butylphenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-4-oxobutanoate IUPAC Name: (2R)-4-(4-tert-butylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-4-oxobutanoate Traditional Name: (2R)-4-(4-tert-butylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-4-keto-butyrate Formula: C24H29FN2O3 MolecularWeight: 412.497063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@H](C(=O)[O-])[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H29FN2O3/c1-24(2,3)18-6-4-17(5-7-18)22(28)16-21(23(29)30)27-14-12-26(13-15-27)20-10-8-19(25)9-11-20/h4-11,21H,12-16H2,1-3H3,(H,29,30)/t21-/m1/s1