(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-methyl-1,2-oxazole-3-carboxylate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-methyl-1,2-oxazole-3-carboxylate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-methylisoxazole-3-carboxylate bromide CAS Name: 5-methyl-3-isoxazolecarboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 5-methyl-1,2-oxazole-3-carboxylate bromide Traditional Name: 5-methylisoxazole-3-carboxylic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C14H21BrN2O3 MolecularWeight: 345.23214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)OC2CC3CCC(C2)[N+]3(C)C.[Br-]

Isomeric SMILES

CC1=CC(=NO1)C(=O)OC2CC3CCC(C2)[N+]3(C)C.[Br-]

InChI

InChI=1S/C14H21N2O3.BrH/c1-9-6-13(15-19-9)14(17)18-12-7-10-4-5-11(8-12)16(10,2)3;/h6,10-12H,4-5,7-8H2,1-3H3;1H/q+1;/p-1