2-[2-(cyclohexyl-oxidanyl-phenyl-methyl)-1,3-oxazol-5-yl]ethyl-dimethyl-(2-phenylmethoxyethyl)azanium bromide

Systemtic Name: 2-[2-(cyclohexyl-oxidanyl-phenyl-methyl)-1,3-oxazol-5-yl]ethyl-dimethyl-(2-phenylmethoxyethyl)azanium bromide Openeye Name: 2-benzyloxyethyl-[2-[2-(cyclohexyl-hydroxy-phenyl-methyl)oxazol-5-yl]ethyl]-dimethyl-ammonium bromide CAS Name: 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-5-oxazolyl]ethyl-dimethyl-(2-phenylmethoxyethyl)ammonium bromide IUPAC Name: 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]ethyl-dimethyl-(2-phenylmethoxyethyl)azanium bromide Traditional Name: 2-benzoxyethyl-[2-[2-(cyclohexyl-hydroxy-phenyl-methyl)oxazol-5-yl]ethyl]-dimethyl-ammonium bromide Formula: C29H39BrN2O3 MolecularWeight: 543.53556

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CN=C(O1)C(C2CCCCC2)(C3=CC=CC=C3)O)CCOCC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+](C)(CCC1=CN=C(O1)C(C2CCCCC2)(C3=CC=CC=C3)O)CCOCC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C29H39N2O3.BrH/c1-31(2,20-21-33-23-24-12-6-3-7-13-24)19-18-27-22-30-28(34-27)29(32,25-14-8-4-9-15-25)26-16-10-5-11-17-26;/h3-4,6-9,12-15,22,26,32H,5,10-11,16-21,23H2,1-2H3;1H/q+1;/p-1