ethyl 2-ethanoyl-4-(iodanylmethyl)-5-azoniaspiro[4.5]decane-2-carboxylate iodide

Systemtic Name: ethyl 2-ethanoyl-4-(iodanylmethyl)-5-azoniaspiro[4.5]decane-2-carboxylate iodide Openeye Name: ethyl 2-acetyl-4-(iodomethyl)-5-azoniaspiro[4.5]decane-2-carboxylate iodide CAS Name: 2-acetyl-4-(iodomethyl)-5-azoniaspiro[4.5]decane-2-carboxylic acid ethyl ester iodide IUPAC Name: ethyl 2-acetyl-4-(iodomethyl)-5-azoniaspiro[4.5]decane-2-carboxylate iodide Traditional Name: 2-acetyl-4-(iodomethyl)-5-azoniaspiro[4.5]decane-2-carboxylic acid ethyl ester iodide Formula: C15H25I2NO3 MolecularWeight: 521.17284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC([N+]2(C1)CCCCC2)CI)C(=O)C.[I-]

Isomeric SMILES

CCOC(=O)C1(CC([N+]2(C1)CCCCC2)CI)C(=O)C.[I-]

InChI

InChI=1S/C15H25INO3.HI/c1-3-20-14(19)15(12(2)18)9-13(10-16)17(11-15)7-5-4-6-8-17;/h13H,3-11H2,1-2H3;1H/q+1;/p-1