[(2S,3S)-3-(4-bromophenyl)-3-oxidanyl-2,5-diphenyl-pentyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-bromophenyl)-3-oxidanyl-2,5-diphenyl-pentyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2,5-diphenyl-pentyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2,5-diphenylpentyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2,5-diphenylpentyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2,5-diphenyl-pentyl]-methyl-ammonium Formula: C31H33BrNO+ MolecularWeight: 515.50382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(C2=CC=CC=C2)C(CCC3=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@@](CCC3=CC=CC=C3)(C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C31H32BrNO/c1-33(23-26-13-7-3-8-14-26)24-30(27-15-9-4-10-16-27)31(34,28-17-19-29(32)20-18-28)22-21-25-11-5-2-6-12-25/h2-20,30,34H,21-24H2,1H3/p+1/t30-,31-/m1/s1