diethyl-methyl-(4-oxidanylbut-2-ynyl)azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide

Systemtic Name: diethyl-methyl-(4-oxidanylbut-2-ynyl)azanium; 2-oxidanyl-2,2-diphenyl-ethanoate; bromide Openeye Name: diethyl-(4-hydroxybut-2-ynyl)-methyl-ammonium; 2-hydroxy-2,2-diphenyl-acetate; bromide CAS Name: diethyl-(4-hydroxybut-2-ynyl)-methylammonium; 2-hydroxy-2,2-diphenylacetate; bromide IUPAC Name: diethyl-(4-hydroxybut-2-ynyl)-methylazanium; 2-hydroxy-2,2-diphenylacetate; bromide Traditional Name: benzilate; diethyl-(4-hydroxybut-2-ynyl)-methyl-ammonium; bromide Formula: C23H29BrNO4- MolecularWeight: 463.38466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O3.C9H18NO.BrH/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-10(3,5-2)8-6-7-9-11;/h1-10,17H,(H,15,16);11H,4-5,8-9H2,1-3H3;1H/q;+1;/p-2