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

Systemtic Name: dibutyl-[3-(2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)propyl]azanium chloride Openeye Name: dibutyl-[3-(2-oxo-3-phenyl-benzofuran-3-yl)propyl]ammonium chloride CAS Name: dibutyl-[3-(2-oxo-3-phenyl-3-benzofuranyl)propyl]ammonium chloride IUPAC Name: dibutyl-[3-(2-oxo-3-phenyl-1-benzofuran-3-yl)propyl]azanium chloride Traditional Name: dibutyl-[3-(2-keto-3-phenyl-coumaran-3-yl)propyl]ammonium chloride Formula: C25H34ClNO2 MolecularWeight: 415.99596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO2.ClH/c1-3-5-18-26(19-6-4-2)20-12-17-25(21-13-8-7-9-14-21)22-15-10-11-16-23(22)28-24(25)27;/h7-11,13-16H,3-6,12,17-20H2,1-2H3;1H