cyclohexyl-[5-[[dimethyl(2-phenylmethoxyethyl)azaniumyl]methyl]-1,2,4-oxadiazol-3-yl]-phenyl-methanolate

Systemtic Name: cyclohexyl-[5-[[dimethyl(2-phenylmethoxyethyl)azaniumyl]methyl]-1,2,4-oxadiazol-3-yl]-phenyl-methanolate Openeye Name: [5-[[2-benzyloxyethyl(dimethyl)ammonio]methyl]-1,2,4-oxadiazol-3-yl]-cyclohexyl-phenyl-methanolate CAS Name: cyclohexyl-[5-[[dimethyl(2-phenylmethoxyethyl)ammonio]methyl]-1,2,4-oxadiazol-3-yl]-phenylmethanolate IUPAC Name: cyclohexyl-[5-[[dimethyl(2-phenylmethoxyethyl)azaniumyl]methyl]-1,2,4-oxadiazol-3-yl]-phenylmethanolate Traditional Name: [5-[[2-benzoxyethyl(dimethyl)ammonio]methyl]-1,2,4-oxadiazol-3-yl]-cyclohexyl-phenyl-methanolate Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O3/c1-30(2,18-19-32-21-22-12-6-3-7-13-22)20-25-28-26(29-33-25)27(31,23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-4,6-9,12-15,24H,5,10-11,16-21H2,1-2H3