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

Systemtic Name: [(2S,3R)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-heptyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-heptyl]-methyl-ammonium CAS Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylheptyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylheptyl]-methylazanium Traditional Name: benzyl-[(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-heptyl]-methyl-ammonium Formula: C27H33BrNO+ MolecularWeight: 467.46102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32BrNO/c1-3-4-19-27(30,24-15-17-25(28)18-16-24)26(23-13-9-6-10-14-23)21-29(2)20-22-11-7-5-8-12-22/h5-18,26,30H,3-4,19-21H2,1-2H3/p+1/t26-,27+/m1/s1