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

Systemtic Name: [(2S,3S)-3-(4-bromophenyl)-4-methyl-3-oxidanyl-2-phenyl-pentyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-4-methyl-2-phenyl-pentyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-bromophenyl)-3-hydroxy-4-methyl-2-phenylpentyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-4-methyl-2-phenylpentyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-4-methyl-2-phenyl-pentyl]-methyl-ammonium Formula: C26H31BrNO+ MolecularWeight: 453.43444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C26H30BrNO/c1-20(2)26(29,23-14-16-24(27)17-15-23)25(22-12-8-5-9-13-22)19-28(3)18-21-10-6-4-7-11-21/h4-17,20,25,29H,18-19H2,1-3H3/p+1/t25-,26-/m1/s1