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

Systemtic Name: cyclohexyl-[5-[[dimethyl(3-phenylmethoxypropyl)azaniumyl]methyl]-1,3,4-oxadiazol-2-yl]-phenyl-methanolate Openeye Name: [5-[[3-benzyloxypropyl(dimethyl)ammonio]methyl]-1,3,4-oxadiazol-2-yl]-cyclohexyl-phenyl-methanolate CAS Name: cyclohexyl-[5-[[dimethyl(3-phenylmethoxypropyl)ammonio]methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanolate IUPAC Name: cyclohexyl-[5-[[dimethyl(3-phenylmethoxypropyl)azaniumyl]methyl]-1,3,4-oxadiazol-2-yl]-phenylmethanolate Traditional Name: [5-[[3-benzoxypropyl(dimethyl)ammonio]methyl]-1,3,4-oxadiazol-2-yl]-cyclohexyl-phenyl-methanolate Formula: C28H37N3O3 MolecularWeight: 463.61168

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCOCC1=CC=CC=C1)CC2=NN=C(O2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

Isomeric SMILES

C[N+](C)(CCCOCC1=CC=CC=C1)CC2=NN=C(O2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C28H37N3O3/c1-31(2,19-12-20-33-22-23-13-6-3-7-14-23)21-26-29-30-27(34-26)28(32,24-15-8-4-9-16-24)25-17-10-5-11-18-25/h3-4,6-9,13-16,25H,5,10-12,17-22H2,1-2H3