5-azoniaspiro[4.5]decan-3-yl 2-methyl-2-oxidanyl-hexanoate bromide

Systemtic Name: 5-azoniaspiro[4.5]decan-3-yl 2-methyl-2-oxidanyl-hexanoate bromide Openeye Name: 5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-methyl-hexanoate bromide CAS Name: 2-hydroxy-2-methylhexanoic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide IUPAC Name: 5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-2-methylhexanoate bromide Traditional Name: 2-hydroxy-2-methyl-hexanoic acid 5-azoniaspiro[4.5]decan-3-yl ester bromide Formula: C16H30BrNO3 MolecularWeight: 364.3183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C(=O)OC1CC[N+]2(C1)CCCCC2)O.[Br-]

Isomeric SMILES

CCCCC(C)(C(=O)OC1CC[N+]2(C1)CCCCC2)O.[Br-]

InChI

InChI=1S/C16H30NO3.BrH/c1-3-4-9-16(2,19)15(18)20-14-8-12-17(13-14)10-6-5-7-11-17;/h14,19H,3-13H2,1-2H3;1H/q+1;/p-1