diethyl-(2-hydroxyethyl)-methyl-azanium; 3-methyl-2-phenyl-pentanoate; hydrobromide

Systemtic Name: diethyl-(2-hydroxyethyl)-methyl-azanium; 3-methyl-2-phenyl-pentanoate; hydrobromide Openeye Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 3-methyl-2-phenyl-pentanoate; hydrobromide CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; 3-methyl-2-phenylpentanoate; hydrobromide IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; 3-methyl-2-phenylpentanoate; hydrobromide Traditional Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 3-methyl-2-phenyl-valerate; hydrobromide Formula: C19H34BrNO3 MolecularWeight: 404.38216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2.C7H18NO.BrH/c1-3-9(2)11(12(13)14)10-7-5-4-6-8-10;1-4-8(3,5-2)6-7-9;/h4-9,11H,3H2,1-2H3,(H,13,14);9H,4-7H2,1-3H3;1H/q;+1;/p-1