[3-(4-chlorophenyl)carbonyl-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dipropyl-azanium chloride

Systemtic Name: [3-(4-chlorophenyl)carbonyl-2-methyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dipropyl-azanium chloride Openeye Name: [3-(4-chlorobenzoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-dipropyl-ammonium chloride CAS Name: [3-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-2-methyl-4-benzofuranyl]methyl-dipropylammonium chloride IUPAC Name: [3-(4-chlorobenzoyl)-5-hydroxy-2-methyl-1-benzofuran-4-yl]methyl-dipropylazanium chloride Traditional Name: [3-(4-chlorobenzoyl)-5-hydroxy-2-methyl-benzofuran-4-yl]methyl-dipropyl-ammonium chloride Formula: C23H27Cl2NO3 MolecularWeight: 436.37138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1C(=C(O2)C)C(=O)C3=CC=C(C=C3)Cl)O.[Cl-]

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1C(=C(O2)C)C(=O)C3=CC=C(C=C3)Cl)O.[Cl-]

InChI

InChI=1S/C23H26ClNO3.ClH/c1-4-12-25(13-5-2)14-18-19(26)10-11-20-22(18)21(15(3)28-20)23(27)16-6-8-17(24)9-7-16;/h6-11,26H,4-5,12-14H2,1-3H3;1H