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

Systemtic Name: diethyl-(2-hydroxyethyl)-methyl-azanium; 3-oxidanyl-2-phenyl-butanoate; bromide Openeye Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 3-hydroxy-2-phenyl-butanoate; bromide CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; 3-hydroxy-2-phenylbutanoate; bromide IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; 3-hydroxy-2-phenylbutanoate; bromide Traditional Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 3-hydroxy-2-phenyl-butyrate; bromide Formula: C17H29BrNO4- MolecularWeight: 391.32046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O3.C7H18NO.BrH/c1-7(11)9(10(12)13)8-5-3-2-4-6-8;1-4-8(3,5-2)6-7-9;/h2-7,9,11H,1H3,(H,12,13);9H,4-7H2,1-3H3;1H/q;+1;/p-2