2-cyclopent-2-en-1-yl-2-phenyl-ethanoate; 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol; hydroiodide

Systemtic Name: 2-cyclopent-2-en-1-yl-2-phenyl-ethanoate; 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol; hydroiodide Openeye Name: 2-cyclopent-2-en-1-yl-2-phenyl-acetate; 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol; hydroiodide CAS Name: 2-(1-cyclopent-2-enyl)-2-phenylacetate; 2-(1-methyl-1-pyrrolidin-1-iumyl)ethanol; hydroiodide IUPAC Name: 2-cyclopent-2-en-1-yl-2-phenylacetate; 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol; hydroiodide Traditional Name: 2-cyclopent-2-en-1-yl-2-phenyl-acetate; 2-(1-methylpyrrolidin-1-ium-1-yl)ethanol; hydroiodide Formula: C20H30INO3 MolecularWeight: 459.36157

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCO.C1CC(C=C1)C(C2=CC=CC=C2)C(=O)[O-].I

Isomeric SMILES

C[N+]1(CCCC1)CCO.C1CC(C=C1)C(C2=CC=CC=C2)C(=O)[O-].I

InChI

InChI=1S/C13H14O2.C7H16NO.HI/c14-13(15)12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-8(6-7-9)4-2-3-5-8;/h1-4,6-8,11-12H,5,9H2,(H,14,15);9H,2-7H2,1H3;1H/q;+1;/p-1