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

Systemtic Name: [3-(cyclohexyl-oxidanyl-phenyl-methyl)-1,2-oxazol-5-yl]methyl-dimethyl-(2-phenethyloxyethyl)azanium Openeye Name: [3-(cyclohexyl-hydroxy-phenyl-methyl)isoxazol-5-yl]methyl-dimethyl-(2-phenethyloxyethyl)ammonium CAS Name: [3-(cyclohexyl-hydroxy-phenylmethyl)-5-isoxazolyl]methyl-dimethyl-(2-phenethyloxyethyl)ammonium IUPAC Name: [3-(cyclohexyl-hydroxy-phenylmethyl)-1,2-oxazol-5-yl]methyl-dimethyl-(2-phenethyloxyethyl)azanium Traditional Name: [3-(cyclohexyl-hydroxy-phenyl-methyl)isoxazol-5-yl]methyl-dimethyl-(2-phenethyloxyethyl)ammonium Formula: C29H39N2O3+ MolecularWeight: 463.63156

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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/C29H39N2O3/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/h3-4,6-9,12-15,22,26,32H,5,10-11,16-21,23H2,1-2H3/q+1