8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; hexanedioic acid; diiodide

Systemtic Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; hexanedioic acid; diiodide Openeye Name: adipic acid; 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; diiodide CAS Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; hexanedioic acid; diiodide IUPAC Name: 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; hexanedioic acid; diiodide Traditional Name: adipic acid; 8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octane; diiodide Formula: C26H50I2N2O4 MolecularWeight: 708.49514

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2CCCC1CC2)C.CC[N+]1(C2CCCC1CC2)C.C(CCC(=O)O)CC(=O)O.[I-].[I-]

Isomeric SMILES

CC[N+]1(C2CCCC1CC2)C.CC[N+]1(C2CCCC1CC2)C.C(CCC(=O)O)CC(=O)O.[I-].[I-]

InChI

InChI=1S/2C10H20N.C6H10O4.2HI/c2*1-3-11(2)9-5-4-6-10(11)8-7-9;7-5(8)3-1-2-4-6(9)10;;/h2*9-10H,3-8H2,1-2H3;1-4H2,(H,7,8)(H,9,10);2*1H/q2*+1;;;/p-2