5-azoniaspiro[4.5]decan-3-yl 2,2-dicyclopentyl-2-oxidanyl-ethanoate bromide

Systemtic Name: 5-azoniaspiro[4.5]decan-3-yl 2,2-dicyclopentyl-2-oxidanyl-ethanoate bromide Openeye Name: 5-azoniaspiro[4.5]decan-3-yl 2,2-dicyclopentyl-2-hydroxy-acetate bromide CAS Name: 2,2-dicyclopentyl-2-hydroxyacetic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide IUPAC Name: 5-azoniaspiro[4.5]decan-3-yl 2,2-dicyclopentyl-2-hydroxyacetate bromide Traditional Name: 2,2-dicyclopentyl-2-hydroxy-acetic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide Formula: C21H36BrNO3 MolecularWeight: 430.41944

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(CC1)CCC(C2)OC(=O)C(C3CCCC3)(C4CCCC4)O.[Br-]

Isomeric SMILES

C1CC[N+]2(CC1)CCC(C2)OC(=O)C(C3CCCC3)(C4CCCC4)O.[Br-]

InChI

InChI=1S/C21H36NO3.BrH/c23-20(25-19-12-15-22(16-19)13-6-1-7-14-22)21(24,17-8-2-3-9-17)18-10-4-5-11-18;/h17-19,24H,1-16H2;1H/q+1;/p-1