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

Systemtic Name: [(2S,3S)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-nonyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-nonyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenylnonyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenylnonyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-nonyl]-methyl-ammonium Formula: C29H37BrNO+ MolecularWeight: 495.51418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36BrNO/c1-3-4-5-12-21-29(32,26-17-19-27(30)20-18-26)28(25-15-10-7-11-16-25)23-31(2)22-24-13-8-6-9-14-24/h6-11,13-20,28,32H,3-5,12,21-23H2,1-2H3/p+1/t28-,29-/m1/s1