(2Z)-2-[(4-chlorophenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(4-chlorophenyl)methylidene]-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(4-chlorophenyl)methylene]-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]benzofuran-3-one CAS Name: (2Z)-2-[(4-chlorophenyl)methylidene]-6-hydroxy-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-benzofuranone IUPAC Name: (2Z)-2-[(4-chlorophenyl)methylidene]-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-(4-chlorobenzylidene)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]coumaran-3-one Formula: C22H23ClNO3+ MolecularWeight: 384.87592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)Cl)C3=O)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)Cl)/C3=O)O

InChI

InChI=1S/C22H22ClNO3/c1-14-8-10-24(11-9-14)13-18-19(25)7-6-17-21(26)20(27-22(17)18)12-15-2-4-16(23)5-3-15/h2-7,12,14,25H,8-11,13H2,1H3/p+1/b20-12-