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

Systemtic Name: 2-[2-(cyclohexyl-oxidanyl-phenyl-methyl)-1,3-oxazol-5-yl]ethyl-dimethyl-(2-phenethyloxyethyl)azanium bromide Openeye Name: 2-[2-(cyclohexyl-hydroxy-phenyl-methyl)oxazol-5-yl]ethyl-dimethyl-(2-phenethyloxyethyl)ammonium bromide CAS Name: 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-5-oxazolyl]ethyl-dimethyl-(2-phenethyloxyethyl)ammonium bromide IUPAC Name: 2-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]ethyl-dimethyl-(2-phenethyloxyethyl)azanium bromide Traditional Name: 2-[2-(cyclohexyl-hydroxy-phenyl-methyl)oxazol-5-yl]ethyl-dimethyl-(2-phenethyloxyethyl)ammonium bromide Formula: C30H41BrN2O3 MolecularWeight: 557.56214

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CN=C(O1)C(C2CCCCC2)(C3=CC=CC=C3)O)CCOCCC4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+](C)(CCC1=CN=C(O1)C(C2CCCCC2)(C3=CC=CC=C3)O)CCOCCC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C30H41N2O3.BrH/c1-32(2,21-23-34-22-19-25-12-6-3-7-13-25)20-18-28-24-31-29(35-28)30(33,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-4,6-9,12-15,24,27,33H,5,10-11,16-23H2,1-2H3;1H/q+1;/p-1