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

Systemtic Name: cyclohexyl-[5-[[dimethyl(2-phenethyloxyethyl)azaniumyl]methyl]-1,2-oxazol-3-yl]-phenyl-methanolate Openeye Name: cyclohexyl-[5-[[dimethyl(2-phenethyloxyethyl)ammonio]methyl]isoxazol-3-yl]-phenyl-methanolate CAS Name: cyclohexyl-[5-[[dimethyl(2-phenethyloxyethyl)ammonio]methyl]-3-isoxazolyl]-phenylmethanolate IUPAC Name: cyclohexyl-[5-[[dimethyl(2-phenethyloxyethyl)azaniumyl]methyl]-1,2-oxazol-3-yl]-phenylmethanolate Traditional Name: cyclohexyl-[5-[[dimethyl(2-phenethyloxyethyl)ammonio]methyl]isoxazol-3-yl]-phenyl-methanolate Formula: C29H38N2O3 MolecularWeight: 462.62362

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOCCC1=CC=CC=C1)CC2=CC(=NO2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

Isomeric SMILES

C[N+](C)(CCOCCC1=CC=CC=C1)CC2=CC(=NO2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C29H38N2O3/c1-31(2,19-21-33-20-18-24-12-6-3-7-13-24)23-27-22-28(30-34-27)29(32,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-4,6-9,12-15,22,26H,5,10-11,16-21,23H2,1-2H3