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

Systemtic Name: diethyl-(2-hydroxyethyl)-methyl-azanium; 3-methyl-2-phenyl-pentanoate; bromide Openeye Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 3-methyl-2-phenyl-pentanoate; bromide CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; 3-methyl-2-phenylpentanoate; bromide IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; 3-methyl-2-phenylpentanoate; bromide Traditional Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 3-methyl-2-phenyl-valerate; bromide Formula: C19H33BrNO3- MolecularWeight: 403.37422

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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-2