diethyl-[11-(2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)undecyl]azanium chloride

Systemtic Name: diethyl-[11-(2-oxidanylidene-3-phenyl-1-benzofuran-3-yl)undecyl]azanium chloride Openeye Name: diethyl-[11-(2-oxo-3-phenyl-benzofuran-3-yl)undecyl]ammonium chloride CAS Name: diethyl-[11-(2-oxo-3-phenyl-3-benzofuranyl)undecyl]ammonium chloride IUPAC Name: diethyl-[11-(2-oxo-3-phenyl-1-benzofuran-3-yl)undecyl]azanium chloride Traditional Name: diethyl-[11-(2-keto-3-phenyl-coumaran-3-yl)undecyl]ammonium chloride Formula: C29H42ClNO2 MolecularWeight: 472.10228

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCCCCCCCCCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCCCCCCCCCC1(C2=CC=CC=C2OC1=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C29H41NO2.ClH/c1-3-30(4-2)24-18-11-9-7-5-6-8-10-17-23-29(25-19-13-12-14-20-25)26-21-15-16-22-27(26)32-28(29)31;/h12-16,19-22H,3-11,17-18,23-24H2,1-2H3;1H