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

Systemtic Name: [(2S,3R)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-hexyl]-(4-oxidanylbutyl)azanium Openeye Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-hexyl]-(4-hydroxybutyl)ammonium CAS Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylhexyl]-(4-hydroxybutyl)ammonium IUPAC Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylhexyl]-(4-hydroxybutyl)azanium Traditional Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-hexyl]-(4-hydroxybutyl)ammonium Formula: C22H31BrNO2+ MolecularWeight: 421.39104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrNO2/c1-2-14-22(26,19-10-12-20(23)13-11-19)21(17-24-15-6-7-16-25)18-8-4-3-5-9-18/h3-5,8-13,21,24-26H,2,6-7,14-17H2,1H3/p+1/t21-,22+/m1/s1