[(2S,3S)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-octyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-octyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-octyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenyloctyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenyloctyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-octyl]-methyl-ammonium Formula: C28H35BrNO+ MolecularWeight: 481.4876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34BrNO/c1-3-4-11-20-28(31,25-16-18-26(29)19-17-25)27(24-14-9-6-10-15-24)22-30(2)21-23-12-7-5-8-13-23/h5-10,12-19,27,31H,3-4,11,20-22H2,1-2H3/p+1/t27-,28-/m1/s1