8-oxa-5-azoniaspiro[4.5]decan-3-yl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide

Systemtic Name: 8-oxa-5-azoniaspiro[4.5]decan-3-yl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: 8-oxa-5-azoniaspiro[4.5]decan-3-yl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid 8-oxa-5-azoniaspiro[4.5]decan-3-yl ester bromide IUPAC Name: 8-oxa-5-azoniaspiro[4.5]decan-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid 8-oxa-5-azoniaspiro[4.5]decan-3-yl ester bromide Formula: C21H30BrNO4 MolecularWeight: 440.3712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+]4(C3)CCOCC4)O.[Br-]

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+]4(C3)CCOCC4)O.[Br-]

InChI

InChI=1S/C21H30NO4.BrH/c23-20(26-19-10-11-22(16-19)12-14-25-15-13-22)21(24,18-8-4-5-9-18)17-6-2-1-3-7-17;/h1-3,6-7,18-19,24H,4-5,8-16H2;1H/q+1;/p-1