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

Systemtic Name: [5-[[2-(3-chlorophenyl)ethyl-dimethyl-azaniumyl]methyl]-1,2-oxazol-3-yl]-cyclohexyl-phenyl-methanolate Openeye Name: [5-[[2-(3-chlorophenyl)ethyl-dimethyl-ammonio]methyl]isoxazol-3-yl]-cyclohexyl-phenyl-methanolate CAS Name: [5-[[2-(3-chlorophenyl)ethyl-dimethylammonio]methyl]-3-isoxazolyl]-cyclohexyl-phenylmethanolate IUPAC Name: [5-[[2-(3-chlorophenyl)ethyl-dimethylazaniumyl]methyl]-1,2-oxazol-3-yl]-cyclohexyl-phenylmethanolate Traditional Name: [5-[[2-(3-chlorophenyl)ethyl-dimethyl-ammonio]methyl]isoxazol-3-yl]-cyclohexyl-phenyl-methanolate Formula: C27H33ClN2O2 MolecularWeight: 453.01612

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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/C27H33ClN2O2/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/h3,5-6,9-12,15,18-19,23H,4,7-8,13-14,16-17,20H2,1-2H3