cyclohexyl-[5-[[dimethyl(2-phenylmethoxyethyl)azaniumyl]methyl]-1,2-oxazol-3-yl]-phenyl-methanolate

Systemtic Name: cyclohexyl-[5-[[dimethyl(2-phenylmethoxyethyl)azaniumyl]methyl]-1,2-oxazol-3-yl]-phenyl-methanolate Openeye Name: [5-[[2-benzyloxyethyl(dimethyl)ammonio]methyl]isoxazol-3-yl]-cyclohexyl-phenyl-methanolate CAS Name: cyclohexyl-[5-[[dimethyl(2-phenylmethoxyethyl)ammonio]methyl]-3-isoxazolyl]-phenylmethanolate IUPAC Name: cyclohexyl-[5-[[dimethyl(2-phenylmethoxyethyl)azaniumyl]methyl]-1,2-oxazol-3-yl]-phenylmethanolate Traditional Name: [5-[[2-benzoxyethyl(dimethyl)ammonio]methyl]isoxazol-3-yl]-cyclohexyl-phenyl-methanolate Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOCC1=CC=CC=C1)CC2=CC(=NO2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

Isomeric SMILES

C[N+](C)(CCOCC1=CC=CC=C1)CC2=CC(=NO2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C28H36N2O3/c1-30(2,18-19-32-22-23-12-6-3-7-13-23)21-26-20-27(29-33-26)28(31,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-4,6-9,12-15,20,25H,5,10-11,16-19,21-22H2,1-2H3