8-thia-5-azoniaspiro[4.5]decan-3-yl 3-methyl-2-oxidanyl-2-phenyl-butanoate iodide

Systemtic Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 3-methyl-2-oxidanyl-2-phenyl-butanoate iodide Openeye Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-3-methyl-2-phenyl-butanoate iodide CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester iodide IUPAC Name: 8-thia-5-azoniaspiro[4.5]decan-3-yl 2-hydroxy-3-methyl-2-phenylbutanoate iodide Traditional Name: 2-hydroxy-3-methyl-2-phenyl-butyric acid 8-thia-5-azoniaspiro[4.5]decan-3-yl ester iodide Formula: C19H28INO3S MolecularWeight: 477.39999

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)OC2CC[N+]3(C2)CCSCC3)O.[I-]

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)OC2CC[N+]3(C2)CCSCC3)O.[I-]

InChI

InChI=1S/C19H28NO3S.HI/c1-15(2)19(22,16-6-4-3-5-7-16)18(21)23-17-8-9-20(14-17)10-12-24-13-11-20;/h3-7,15,17,22H,8-14H2,1-2H3;1H/q+1;/p-1