4-(2,2-diphenylethanoyloxy)but-2-ynyl-diethyl-azanium chloride

Systemtic Name: 4-(2,2-diphenylethanoyloxy)but-2-ynyl-diethyl-azanium chloride Openeye Name: 4-(2,2-diphenylacetyl)oxybut-2-ynyl-diethyl-ammonium chloride CAS Name: diethyl-[4-(1-oxo-2,2-diphenylethoxy)but-2-ynyl]ammonium chloride IUPAC Name: 4-(2,2-diphenylacetyl)oxybut-2-ynyl-diethylazanium chloride Traditional Name: 4-(2,2-diphenylacetyl)oxybut-2-ynyl-diethyl-ammonium chloride Formula: C22H26ClNO2 MolecularWeight: 371.90034

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC#CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC#CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C22H25NO2.ClH/c1-3-23(4-2)17-11-12-18-25-22(24)21(19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5-10,13-16,21H,3-4,17-18H2,1-2H3;1H