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

Systemtic Name: (2R)-4-(4-cyclohexylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(4-cyclohexylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-4-oxo-butanoate CAS Name: (2R)-4-(4-cyclohexylphenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-4-oxobutanoate IUPAC Name: (2R)-4-(4-cyclohexylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-4-oxobutanoate Traditional Name: (2R)-4-(4-cyclohexylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-4-keto-butyrate Formula: C26H31FN2O3 MolecularWeight: 438.534343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CC(C(=O)[O-])[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[C@H](C(=O)[O-])[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H31FN2O3/c27-22-10-12-23(13-11-22)28-14-16-29(17-15-28)24(26(31)32)18-25(30)21-8-6-20(7-9-21)19-4-2-1-3-5-19/h6-13,19,24H,1-5,14-18H2,(H,31,32)/t24-/m1/s1