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

Systemtic Name: (2R)-4-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-4-oxo-butanoate CAS Name: (2R)-4-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-4-oxobutanoate IUPAC Name: (2R)-4-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-4-oxobutanoate Traditional Name: (2R)-4-(4-fluorophenyl)-4-keto-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butyrate Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C(CC(=O)C3=CC=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H](CC(=O)C3=CC=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C21H23FN2O4/c1-28-18-8-6-17(7-9-18)23-10-12-24(13-11-23)19(21(26)27)14-20(25)15-2-4-16(22)5-3-15/h2-9,19H,10-14H2,1H3,(H,26,27)/t19-/m1/s1