2-(1-adamantyl)ethanoate; ethyl-dimethyl-(2-oxidanylpropyl)azanium; hydroiodide

Systemtic Name: 2-(1-adamantyl)ethanoate; ethyl-dimethyl-(2-oxidanylpropyl)azanium; hydroiodide Openeye Name: 2-(1-adamantyl)acetate; ethyl-(2-hydroxypropyl)-dimethyl-ammonium; hydroiodide CAS Name: 2-(1-adamantyl)acetate; ethyl-(2-hydroxypropyl)-dimethylammonium; hydroiodide IUPAC Name: 2-(1-adamantyl)acetate; ethyl-(2-hydroxypropyl)-dimethylazanium; hydroiodide Traditional Name: 2-(1-adamantyl)acetate; ethyl-(2-hydroxypropyl)-dimethyl-ammonium; hydroiodide Formula: C19H36INO3 MolecularWeight: 453.39851

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CC(C)O.C1C2CC3CC1CC(C2)(C3)CC(=O)[O-].I

Isomeric SMILES

CC[N+](C)(C)CC(C)O.C1C2CC3CC1CC(C2)(C3)CC(=O)[O-].I

InChI

InChI=1S/C12H18O2.C7H18NO.HI/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12;1-5-8(3,4)6-7(2)9;/h8-10H,1-7H2,(H,13,14);7,9H,5-6H2,1-4H3;1H/q;+1;/p-1