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

Systemtic Name: 2,2-dicyclopentylethanoate; diethyl-heptyl-(2-hydroxyethyl)azanium; bromide Openeye Name: 2,2-dicyclopentylacetate; diethyl-heptyl-(2-hydroxyethyl)ammonium; bromide CAS Name: 2,2-dicyclopentylacetate; diethyl-heptyl-(2-hydroxyethyl)ammonium; bromide IUPAC Name: 2,2-dicyclopentylacetate; diethyl-heptyl-(2-hydroxyethyl)azanium; bromide Traditional Name: 2,2-dicyclopentylacetate; diethyl-heptyl-(2-hydroxyethyl)ammonium; bromide Formula: C25H49BrNO3- MolecularWeight: 491.56546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H30NO.C12H20O2.BrH/c1-4-7-8-9-10-11-14(5-2,6-3)12-13-15;13-12(14)11(9-5-1-2-6-9)10-7-3-4-8-10;/h15H,4-13H2,1-3H3;9-11H,1-8H2,(H,13,14);1H/q+1;;/p-2