butyl-diethyl-(2-hydroxyethyl)azanium; 2,2-dicyclopentylethanoate; hydrobromide

Systemtic Name: butyl-diethyl-(2-hydroxyethyl)azanium; 2,2-dicyclopentylethanoate; hydrobromide Openeye Name: butyl-diethyl-(2-hydroxyethyl)ammonium; 2,2-dicyclopentylacetate; hydrobromide CAS Name: butyl-diethyl-(2-hydroxyethyl)ammonium; 2,2-dicyclopentylacetate; hydrobromide IUPAC Name: butyl-diethyl-(2-hydroxyethyl)azanium; 2,2-dicyclopentylacetate; hydrobromide Traditional Name: butyl-diethyl-(2-hydroxyethyl)ammonium; 2,2-dicyclopentylacetate; hydrobromide Formula: C22H44BrNO3 MolecularWeight: 450.49366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O2.C10H24NO.BrH/c13-12(14)11(9-5-1-2-6-9)10-7-3-4-8-10;1-4-7-8-11(5-2,6-3)9-10-12;/h9-11H,1-8H2,(H,13,14);12H,4-10H2,1-3H3;1H/q;+1;/p-1