diethyl-[1-(2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)propan-2-yl]azanium chloride

Systemtic Name: diethyl-[1-(2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)propan-2-yl]azanium chloride Openeye Name: diethyl-[1-methyl-2-(2-oxo-3-phenyl-benzofuran-3-yl)ethyl]ammonium chloride CAS Name: diethyl-[1-(2-oxo-3-phenyl-3-benzofuranyl)propan-2-yl]ammonium chloride IUPAC Name: diethyl-[1-(2-oxo-3-phenyl-1-benzofuran-3-yl)propan-2-yl]azanium chloride Traditional Name: diethyl-[2-(2-keto-3-phenyl-coumaran-3-yl)-1-methyl-ethyl]ammonium chloride Formula: C21H26ClNO2 MolecularWeight: 359.88964

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C)CC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC[NH+](CC)C(C)CC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H25NO2.ClH/c1-4-22(5-2)16(3)15-21(17-11-7-6-8-12-17)18-13-9-10-14-19(18)24-20(21)23;/h6-14,16H,4-5,15H2,1-3H3;1H