2,2-dicyclopentylethanoate; diethyl-(2-hydroxyethyl)-propyl-azanium; bromide

Systemtic Name: 2,2-dicyclopentylethanoate; diethyl-(2-hydroxyethyl)-propyl-azanium; bromide Openeye Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-propyl-ammonium; bromide CAS Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-propylammonium; bromide IUPAC Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-propylazanium; bromide Traditional Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-propyl-ammonium; bromide Formula: C21H41BrNO3- MolecularWeight: 435.45914

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CC)(CC)CCO.C1CCC(C1)C(C2CCCC2)C(=O)[O-].[Br-]

Isomeric SMILES

CCC[N+](CC)(CC)CCO.C1CCC(C1)C(C2CCCC2)C(=O)[O-].[Br-]

InChI

InChI=1S/C12H20O2.C9H22NO.BrH/c13-12(14)11(9-5-1-2-6-9)10-7-3-4-8-10;1-4-7-10(5-2,6-3)8-9-11;/h9-11H,1-8H2,(H,13,14);11H,4-9H2,1-3H3;1H/q;+1;/p-2