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

Systemtic Name: [(2S,3R)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-butyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-butyl]-methyl-ammonium CAS Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylbutyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylbutyl]-methylazanium Traditional Name: benzyl-[(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-butyl]-methyl-ammonium Formula: C24H27BrNO+ MolecularWeight: 425.38128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrNO/c1-24(27,21-13-15-22(25)16-14-21)23(20-11-7-4-8-12-20)18-26(2)17-19-9-5-3-6-10-19/h3-16,23,27H,17-18H2,1-2H3/p+1/t23-,24+/m1/s1