2-cyclohexyl-3-oxidanyl-nonanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; bromide

Systemtic Name: 2-cyclohexyl-3-oxidanyl-nonanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; bromide Openeye Name: 2-cyclohexyl-3-hydroxy-nonanoate; diethyl-(2-hydroxyethyl)-methyl-ammonium; bromide CAS Name: 2-cyclohexyl-3-hydroxynonanoate; diethyl-(2-hydroxyethyl)-methylammonium; bromide IUPAC Name: 2-cyclohexyl-3-hydroxynonanoate; diethyl-(2-hydroxyethyl)-methylazanium; bromide Traditional Name: 2-cyclohexyl-3-hydroxy-pelargonate; diethyl-(2-hydroxyethyl)-methyl-ammonium; bromide Formula: C22H45BrNO4- MolecularWeight: 467.501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28O3.C7H18NO.BrH/c1-2-3-4-8-11-13(16)14(15(17)18)12-9-6-5-7-10-12;1-4-8(3,5-2)6-7-9;/h12-14,16H,2-11H2,1H3,(H,17,18);9H,4-7H2,1-3H3;1H/q;+1;/p-2