[(2S,3S)-3-(4-fluorophenyl)-5-methyl-3-oxidanyl-2-phenyl-hexyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-fluorophenyl)-5-methyl-3-oxidanyl-2-phenyl-hexyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-5-methyl-2-phenyl-hexyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-5-methyl-2-phenylhexyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-5-methyl-2-phenylhexyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-5-methyl-2-phenyl-hexyl]-methyl-ammonium Formula: C27H33FNO+ MolecularWeight: 406.555423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32FNO/c1-21(2)18-27(30,24-14-16-25(28)17-15-24)26(23-12-8-5-9-13-23)20-29(3)19-22-10-6-4-7-11-22/h4-17,21,26,30H,18-20H2,1-3H3/p+1/t26-,27-/m1/s1