1-adamantyl-(2-hydroxyethyl)-dimethyl-azanium; butanedioate; iodide

Systemtic Name: 1-adamantyl-(2-hydroxyethyl)-dimethyl-azanium; butanedioate; iodide Openeye Name: 1-adamantyl-(2-hydroxyethyl)-dimethyl-ammonium; butanedioate; iodide CAS Name: 1-adamantyl-(2-hydroxyethyl)-dimethylammonium; butanedioate; iodide IUPAC Name: 1-adamantyl-(2-hydroxyethyl)-dimethylazanium; butanedioate; iodide Traditional Name: 1-adamantyl-(2-hydroxyethyl)-dimethyl-ammonium; succinate; iodide Formula: C18H30INO5-2 MolecularWeight: 467.33897

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCO)C12CC3CC(C1)CC(C3)C2.C(CC(=O)[O-])C(=O)[O-].[I-]

Isomeric SMILES

C[N+](C)(CCO)C12CC3CC(C1)CC(C3)C2.C(CC(=O)[O-])C(=O)[O-].[I-]

InChI

InChI=1S/C14H26NO.C4H6O4.HI/c1-15(2,3-4-16)14-8-11-5-12(9-14)7-13(6-11)10-14;5-3(6)1-2-4(7)8;/h11-13,16H,3-10H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H/q+1;;/p-3