5-azoniaspiro[4.4]nonan-8-yl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate bromide

Systemtic Name: 5-azoniaspiro[4.4]nonan-8-yl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: 5-azoniaspiro[4.4]nonan-8-yl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 5-azoniaspiro[4.4]nonan-8-yl ester bromide IUPAC Name: 5-azoniaspiro[4.4]nonan-8-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 5-azoniaspiro[4.4]nonan-8-yl ester bromide Formula: C22H32BrNO3 MolecularWeight: 438.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+]4(C3)CCCC4)O.[Br-]

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+]4(C3)CCCC4)O.[Br-]

InChI

InChI=1S/C22H32NO3.BrH/c24-21(26-20-13-16-23(17-20)14-7-8-15-23)22(25,18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1,3-4,9-10,19-20,25H,2,5-8,11-17H2;1H/q+1;/p-1