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

Systemtic Name: 2,2-dicyclopentylethanoate; diethyl-(2-hydroxyethyl)-pentyl-azanium; bromide Openeye Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-pentyl-ammonium; bromide CAS Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-pentylammonium; bromide IUPAC Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-pentylazanium; bromide Traditional Name: amyl-diethyl-(2-hydroxyethyl)ammonium; 2,2-dicyclopentylacetate; bromide Formula: C23H45BrNO3- MolecularWeight: 463.5123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O2.C11H26NO.BrH/c13-12(14)11(9-5-1-2-6-9)10-7-3-4-8-10;1-4-7-8-9-12(5-2,6-3)10-11-13;/h9-11H,1-8H2,(H,13,14);13H,4-11H2,1-3H3;1H/q;+1;/p-2