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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H25NO2.ClH/c1-3-22(4-2)16-10-15-21(17-11-6-5-7-12-17)18-13-8-9-14-19(18)24-20(21)23;/h5-9,11-14H,3-4,10,15-16H2,1-2H3;1H