cyclohexyl-phenyl-[5-[(trimethylazaniumyl)methyl]-1,2-oxazol-3-yl]methanolate

Systemtic Name: cyclohexyl-phenyl-[5-[(trimethylazaniumyl)methyl]-1,2-oxazol-3-yl]methanolate Openeye Name: cyclohexyl-phenyl-[5-[(trimethylammonio)methyl]isoxazol-3-yl]methanolate CAS Name: cyclohexyl-phenyl-[5-[(trimethylammonio)methyl]-3-isoxazolyl]methanolate IUPAC Name: cyclohexyl-phenyl-[5-[(trimethylazaniumyl)methyl]-1,2-oxazol-3-yl]methanolate Traditional Name: cyclohexyl-phenyl-[5-[(trimethylammonio)methyl]isoxazol-3-yl]methanolate Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC(=NO1)C(C2CCCCC2)(C3=CC=CC=C3)[O-]

Isomeric SMILES

C[N+](C)(C)CC1=CC(=NO1)C(C2CCCCC2)(C3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H28N2O2/c1-22(2,3)15-18-14-19(21-24-18)20(23,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4,6-7,10-11,14,17H,5,8-9,12-13,15H2,1-3H3