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

Systemtic Name: [(2S,3R)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-butyl]-(4-oxidanylbutyl)azanium Openeye Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-butyl]-(4-hydroxybutyl)ammonium CAS Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylbutyl]-(4-hydroxybutyl)ammonium IUPAC Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylbutyl]-(4-hydroxybutyl)azanium Traditional Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-butyl]-(4-hydroxybutyl)ammonium Formula: C20H27BrNO2+ MolecularWeight: 393.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)(C(C[NH2+]CCCCO)C2=CC=CC=C2)O

Isomeric SMILES

C[C@](C1=CC=C(C=C1)Br)([C@H](C[NH2+]CCCCO)C2=CC=CC=C2)O

InChI

InChI=1S/C20H26BrNO2/c1-20(24,17-9-11-18(21)12-10-17)19(15-22-13-5-6-14-23)16-7-3-2-4-8-16/h2-4,7-12,19,22-24H,5-6,13-15H2,1H3/p+1/t19-,20+/m1/s1