[(2S,3S)-3-(4-fluorophenyl)-3-oxidanyl-2-phenyl-hexyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-fluorophenyl)-3-oxidanyl-2-phenyl-hexyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-2-phenyl-hexyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-2-phenylhexyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-2-phenylhexyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-2-phenyl-hexyl]-methyl-ammonium Formula: C26H31FNO+ MolecularWeight: 392.528843

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)F)(C(C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C26H30FNO/c1-3-18-26(29,23-14-16-24(27)17-15-23)25(22-12-8-5-9-13-22)20-28(2)19-21-10-6-4-7-11-21/h4-17,25,29H,3,18-20H2,1-2H3/p+1/t25-,26-/m1/s1