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

Systemtic Name: 2-(3-chlorophenyl)ethyl-[[3-(cyclohexyl-oxidanyl-phenyl-methyl)-1,2-oxazol-5-yl]methyl]-dimethyl-azanium Openeye Name: 2-(3-chlorophenyl)ethyl-[[3-(cyclohexyl-hydroxy-phenyl-methyl)isoxazol-5-yl]methyl]-dimethyl-ammonium CAS Name: 2-(3-chlorophenyl)ethyl-[[3-(cyclohexyl-hydroxy-phenylmethyl)-5-isoxazolyl]methyl]-dimethylammonium IUPAC Name: 2-(3-chlorophenyl)ethyl-[[3-(cyclohexyl-hydroxy-phenylmethyl)-1,2-oxazol-5-yl]methyl]-dimethylazanium Traditional Name: 2-(3-chlorophenyl)ethyl-[[3-(cyclohexyl-hydroxy-phenyl-methyl)isoxazol-5-yl]methyl]-dimethyl-ammonium Formula: C27H34ClN2O2+ MolecularWeight: 454.02406

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC(=CC=C1)Cl)CC2=CC(=NO2)C(C3CCCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

C[N+](C)(CCC1=CC(=CC=C1)Cl)CC2=CC(=NO2)C(C3CCCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H34ClN2O2/c1-30(2,17-16-21-10-9-15-24(28)18-21)20-25-19-26(29-32-25)27(31,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3,5-6,9-12,15,18-19,23,31H,4,7-8,13-14,16-17,20H2,1-2H3/q+1