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

Systemtic Name: [3-(cyclohexyl-oxidanyl-phenyl-methyl)-1,2-oxazol-5-yl]methyl-dimethyl-(4-phenylbutyl)azanium Openeye Name: [3-(cyclohexyl-hydroxy-phenyl-methyl)isoxazol-5-yl]methyl-dimethyl-(4-phenylbutyl)ammonium CAS Name: [3-(cyclohexyl-hydroxy-phenylmethyl)-5-isoxazolyl]methyl-dimethyl-(4-phenylbutyl)ammonium IUPAC Name: [3-(cyclohexyl-hydroxy-phenylmethyl)-1,2-oxazol-5-yl]methyl-dimethyl-(4-phenylbutyl)azanium Traditional Name: [3-(cyclohexyl-hydroxy-phenyl-methyl)isoxazol-5-yl]methyl-dimethyl-(4-phenylbutyl)ammonium Formula: C29H39N2O2+ MolecularWeight: 447.63216

Click to see the large picture

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/C29H39N2O2/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/h3-4,6-9,14-15,17-18,22,26,32H,5,10-13,16,19-21,23H2,1-2H3/q+1