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

Systemtic Name: 2,2-dicyclopentylethanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; hydrobromide Openeye Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-methyl-ammonium; hydrobromide CAS Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-methylammonium; hydrobromide IUPAC Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-methylazanium; hydrobromide Traditional Name: 2,2-dicyclopentylacetate; diethyl-(2-hydroxyethyl)-methyl-ammonium; hydrobromide Formula: C19H38BrNO3 MolecularWeight: 408.41392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O2.C7H18NO.BrH/c13-12(14)11(9-5-1-2-6-9)10-7-3-4-8-10;1-4-8(3,5-2)6-7-9;/h9-11H,1-8H2,(H,13,14);9H,4-7H2,1-3H3;1H/q;+1;/p-1