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

Systemtic Name: cyclohexyl-[5-[[dimethyl(4-phenylbutyl)azaniumyl]methyl]-1,2,4-oxadiazol-3-yl]-phenyl-methanolate Openeye Name: cyclohexyl-[5-[[dimethyl(4-phenylbutyl)ammonio]methyl]-1,2,4-oxadiazol-3-yl]-phenyl-methanolate CAS Name: cyclohexyl-[5-[[dimethyl(4-phenylbutyl)ammonio]methyl]-1,2,4-oxadiazol-3-yl]-phenylmethanolate IUPAC Name: cyclohexyl-[5-[[dimethyl(4-phenylbutyl)azaniumyl]methyl]-1,2,4-oxadiazol-3-yl]-phenylmethanolate Traditional Name: cyclohexyl-[5-[[dimethyl(4-phenylbutyl)ammonio]methyl]-1,2,4-oxadiazol-3-yl]-phenyl-methanolate Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCC1=CC=CC=C1)CC2=NC(=NO2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

Isomeric SMILES

C[N+](C)(CCCCC1=CC=CC=C1)CC2=NC(=NO2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C28H37N3O2/c1-31(2,21-13-12-16-23-14-6-3-7-15-23)22-26-29-27(30-33-26)28(32,24-17-8-4-9-18-24)25-19-10-5-11-20-25/h3-4,6-9,14-15,17-18,25H,5,10-13,16,19-22H2,1-2H3