2-cyclohexyl-3-oxidanyl-hexanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; hydrobromide

Systemtic Name: 2-cyclohexyl-3-oxidanyl-hexanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; hydrobromide Openeye Name: 2-cyclohexyl-3-hydroxy-hexanoate; diethyl-(2-hydroxyethyl)-methyl-ammonium; hydrobromide CAS Name: 2-cyclohexyl-3-hydroxyhexanoate; diethyl-(2-hydroxyethyl)-methylammonium; hydrobromide IUPAC Name: 2-cyclohexyl-3-hydroxyhexanoate; diethyl-(2-hydroxyethyl)-methylazanium; hydrobromide Traditional Name: 2-cyclohexyl-3-hydroxy-hexanoate; diethyl-(2-hydroxyethyl)-methyl-ammonium; hydrobromide Formula: C19H40BrNO4 MolecularWeight: 426.4292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1CCCCC1)C(=O)[O-])O.CC[N+](C)(CC)CCO.Br

Isomeric SMILES

CCCC(C(C1CCCCC1)C(=O)[O-])O.CC[N+](C)(CC)CCO.Br

InChI

InChI=1S/C12H22O3.C7H18NO.BrH/c1-2-6-10(13)11(12(14)15)9-7-4-3-5-8-9;1-4-8(3,5-2)6-7-9;/h9-11,13H,2-8H2,1H3,(H,14,15);9H,4-7H2,1-3H3;1H/q;+1;/p-1