diethyl-methyl-[4-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxybut-2-ynyl]azanium bromide

Systemtic Name: diethyl-methyl-[4-(2-oxidanyl-2,2-diphenyl-ethanoyl)oxybut-2-ynyl]azanium bromide Openeye Name: diethyl-[4-(2-hydroxy-2,2-diphenyl-acetyl)oxybut-2-ynyl]-methyl-ammonium bromide CAS Name: diethyl-[4-(2-hydroxy-1-oxo-2,2-diphenylethoxy)but-2-ynyl]-methylammonium bromide IUPAC Name: diethyl-[4-(2-hydroxy-2,2-diphenylacetyl)oxybut-2-ynyl]-methylazanium bromide Traditional Name: 4-benziloyloxybut-2-ynyl-diethyl-methyl-ammonium bromide Formula: C23H28BrNO3 MolecularWeight: 446.37732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28NO3.BrH/c1-4-24(3,5-2)18-12-13-19-27-22(25)23(26,20-14-8-6-9-15-20)21-16-10-7-11-17-21;/h6-11,14-17,26H,4-5,18-19H2,1-3H3;1H/q+1;/p-1