[(2S,3S)-3-(4-bromophenyl)-3-oxidanyl-2,4-diphenyl-butyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-bromophenyl)-3-oxidanyl-2,4-diphenyl-butyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2,4-diphenyl-butyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2,4-diphenylbutyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2,4-diphenylbutyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2,4-diphenyl-butyl]-methyl-ammonium Formula: C30H31BrNO+ MolecularWeight: 501.47724

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(C2=CC=CC=C2)C(CC3=CC=CC=C3)(C4=CC=C(C=C4)Br)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C[C@H](C2=CC=CC=C2)[C@@](CC3=CC=CC=C3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C30H30BrNO/c1-32(22-25-13-7-3-8-14-25)23-29(26-15-9-4-10-16-26)30(33,21-24-11-5-2-6-12-24)27-17-19-28(31)20-18-27/h2-20,29,33H,21-23H2,1H3/p+1/t29-,30-/m1/s1