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

Systemtic Name: 2-cyclohexyl-3-oxidanyl-pentanoate; diethyl-(2-hydroxyethyl)-methyl-azanium; bromide Openeye Name: 2-cyclohexyl-3-hydroxy-pentanoate; diethyl-(2-hydroxyethyl)-methyl-ammonium; bromide CAS Name: 2-cyclohexyl-3-hydroxypentanoate; diethyl-(2-hydroxyethyl)-methylammonium; bromide IUPAC Name: 2-cyclohexyl-3-hydroxypentanoate; diethyl-(2-hydroxyethyl)-methylazanium; bromide Traditional Name: 2-cyclohexyl-3-hydroxy-valerate; diethyl-(2-hydroxyethyl)-methyl-ammonium; bromide Formula: C18H37BrNO4- MolecularWeight: 411.39468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20O3.C7H18NO.BrH/c1-2-9(12)10(11(13)14)8-6-4-3-5-7-8;1-4-8(3,5-2)6-7-9;/h8-10,12H,2-7H2,1H3,(H,13,14);9H,4-7H2,1-3H3;1H/q;+1;/p-2