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

Systemtic Name: 2,2-dicyclopentylethanoate; diethyl-(2-hydroxyethyl)-octyl-azanium; hydrobromide Openeye Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-octyl-ammonium; hydrobromide CAS Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-octylammonium; hydrobromide IUPAC Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-octylazanium; hydrobromide Traditional Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-octyl-ammonium; hydrobromide Formula: C26H52BrNO3 MolecularWeight: 506.59998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H32NO.C12H20O2.BrH/c1-4-7-8-9-10-11-12-15(5-2,6-3)13-14-16;13-12(14)11(9-5-1-2-6-9)10-7-3-4-8-10;/h16H,4-14H2,1-3H3;9-11H,1-8H2,(H,13,14);1H/q+1;;/p-1