[(2S,3S)-3-(4-fluorophenyl)-6-methyl-3-oxidanyl-2-phenyl-heptyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-fluorophenyl)-6-methyl-3-oxidanyl-2-phenyl-heptyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-6-methyl-2-phenyl-heptyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-6-methyl-2-phenylheptyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-6-methyl-2-phenylheptyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-fluorophenyl)-3-hydroxy-6-methyl-2-phenyl-heptyl]-methyl-ammonium Formula: C28H35FNO+ MolecularWeight: 420.582003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34FNO/c1-22(2)18-19-28(31,25-14-16-26(29)17-15-25)27(24-12-8-5-9-13-24)21-30(3)20-23-10-6-4-7-11-23/h4-17,22,27,31H,18-21H2,1-3H3/p+1/t27-,28-/m1/s1