[(2S,3S)-1-ethoxy-2-fluoranyl-1-oxidanylidene-5-phenyl-pentan-3-yl]-bis(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-1-ethoxy-2-fluoranyl-1-oxidanylidene-5-phenyl-pentan-3-yl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(1S,2S)-3-ethoxy-2-fluoro-3-oxo-1-phenethyl-propyl]ammonium CAS Name: [(2S,3S)-1-ethoxy-2-fluoro-1-oxo-5-phenylpentan-3-yl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(2S,3S)-1-ethoxy-2-fluoro-1-oxo-5-phenylpentan-3-yl]azanium Traditional Name: dibenzyl-[(1S,2S)-3-ethoxy-2-fluoro-3-keto-1-phenethyl-propyl]ammonium Formula: C27H31FNO2+ MolecularWeight: 420.538943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CCC1=CC=CC=C1)[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)F

Isomeric SMILES

CCOC(=O)[C@H]([C@H](CCC1=CC=CC=C1)[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)F

InChI

InChI=1S/C27H30FNO2/c1-2-31-27(30)26(28)25(19-18-22-12-6-3-7-13-22)29(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17,25-26H,2,18-21H2,1H3/p+1/t25-,26-/m0/s1