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

Systemtic Name: [(2S,3R)-3-(4-bromophenyl)-3-oxidanyl-2-phenyl-heptyl]-(4-oxidanylbutyl)azanium Openeye Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-heptyl]-(4-hydroxybutyl)ammonium CAS Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylheptyl]-(4-hydroxybutyl)ammonium IUPAC Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylheptyl]-(4-hydroxybutyl)azanium Traditional Name: [(2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenyl-heptyl]-(4-hydroxybutyl)ammonium Formula: C23H33BrNO2+ MolecularWeight: 435.41762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32BrNO2/c1-2-3-15-23(27,20-11-13-21(24)14-12-20)22(18-25-16-7-8-17-26)19-9-5-4-6-10-19/h4-6,9-14,22,25-27H,2-3,7-8,15-18H2,1H3/p+1/t22-,23+/m1/s1