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

Systemtic Name: cyclohexyl-[5-[[dimethyl(4-phenylbutyl)azaniumyl]methyl]-1,2-oxazol-3-yl]-phenyl-methanolate Openeye Name: cyclohexyl-[5-[[dimethyl(4-phenylbutyl)ammonio]methyl]isoxazol-3-yl]-phenyl-methanolate CAS Name: cyclohexyl-[5-[[dimethyl(4-phenylbutyl)ammonio]methyl]-3-isoxazolyl]-phenylmethanolate IUPAC Name: cyclohexyl-[5-[[dimethyl(4-phenylbutyl)azaniumyl]methyl]-1,2-oxazol-3-yl]-phenylmethanolate Traditional Name: cyclohexyl-[5-[[dimethyl(4-phenylbutyl)ammonio]methyl]isoxazol-3-yl]-phenyl-methanolate Formula: C29H38N2O2 MolecularWeight: 446.62422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38N2O2/c1-31(2,21-13-12-16-24-14-6-3-7-15-24)23-27-22-28(30-33-27)29(32,25-17-8-4-9-18-25)26-19-10-5-11-20-26/h3-4,6-9,14-15,17-18,22,26H,5,10-13,16,19-21,23H2,1-2H3