[2-(cyclooctyl-oxidanyl-phenyl-methyl)-1,3-oxazol-5-yl]methyl-dimethyl-(2-phenethyloxyethyl)azanium chloride

Systemtic Name: [2-(cyclooctyl-oxidanyl-phenyl-methyl)-1,3-oxazol-5-yl]methyl-dimethyl-(2-phenethyloxyethyl)azanium chloride Openeye Name: [2-(cyclooctyl-hydroxy-phenyl-methyl)oxazol-5-yl]methyl-dimethyl-(2-phenethyloxyethyl)ammonium chloride CAS Name: [2-(cyclooctyl-hydroxy-phenylmethyl)-5-oxazolyl]methyl-dimethyl-(2-phenethyloxyethyl)ammonium chloride IUPAC Name: [2-(cyclooctyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]methyl-dimethyl-(2-phenethyloxyethyl)azanium chloride Traditional Name: [2-(cyclooctyl-hydroxy-phenyl-methyl)oxazol-5-yl]methyl-dimethyl-(2-phenethyloxyethyl)ammonium chloride Formula: C31H43ClN2O3 MolecularWeight: 527.13772

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOCCC1=CC=CC=C1)CC2=CN=C(O2)C(C3CCCCCCC3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C[N+](C)(CCOCCC1=CC=CC=C1)CC2=CN=C(O2)C(C3CCCCCCC3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C31H43N2O3.ClH/c1-33(2,21-23-35-22-20-26-14-8-6-9-15-26)25-29-24-32-30(36-29)31(34,28-18-12-7-13-19-28)27-16-10-4-3-5-11-17-27;/h6-9,12-15,18-19,24,27,34H,3-5,10-11,16-17,20-23,25H2,1-2H3;1H/q+1;/p-1