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

Systemtic Name: 5-azoniaspiro[4.4]nonan-8-yl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: 5-azoniaspiro[4.4]nonan-8-yl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid 5-azoniaspiro[4.4]nonan-8-yl ester bromide IUPAC Name: 5-azoniaspiro[4.4]nonan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid 5-azoniaspiro[4.4]nonan-8-yl ester bromide Formula: C21H30BrNO3 MolecularWeight: 424.3718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+]4(C3)CCCC4)O.[Br-]

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+]4(C3)CCCC4)O.[Br-]

InChI

InChI=1S/C21H30NO3.BrH/c23-20(25-19-12-15-22(16-19)13-6-7-14-22)21(24,18-10-4-5-11-18)17-8-2-1-3-9-17;/h1-3,8-9,18-19,24H,4-7,10-16H2;1H/q+1;/p-1