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

Systemtic Name: diethyl-(2-hydroxyethyl)-methyl-azanium; 2-(3-methoxyphenyl)-2-phenyl-ethanoate; bromide Openeye Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 2-(3-methoxyphenyl)-2-phenyl-acetate; bromide CAS Name: diethyl-(2-hydroxyethyl)-methylammonium; 2-(3-methoxyphenyl)-2-phenylacetate; bromide IUPAC Name: diethyl-(2-hydroxyethyl)-methylazanium; 2-(3-methoxyphenyl)-2-phenylacetate; bromide Traditional Name: diethyl-(2-hydroxyethyl)-methyl-ammonium; 2-(3-methoxyphenyl)-2-phenyl-acetate; bromide Formula: C22H31BrNO4- MolecularWeight: 453.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCO.COC1=CC=CC(=C1)C(C2=CC=CC=C2)C(=O)[O-].[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCO.COC1=CC=CC(=C1)C(C2=CC=CC=C2)C(=O)[O-].[Br-]

InChI

InChI=1S/C15H14O3.C7H18NO.BrH/c1-18-13-9-5-8-12(10-13)14(15(16)17)11-6-3-2-4-7-11;1-4-8(3,5-2)6-7-9;/h2-10,14H,1H3,(H,16,17);9H,4-7H2,1-3H3;1H/q;+1;/p-2