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

Systemtic Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylene]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-[(4-nitrophenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-(4-nitrobenzylidene)coumaran-3-one Formula: C22H23N2O5+ MolecularWeight: 395.42842

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)[N+](=O)[O-])C3=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/c1-14-8-10-23(11-9-14)13-18-19(25)7-6-17-21(26)20(29-22(17)18)12-15-2-4-16(5-3-15)24(27)28/h2-7,12,14,25H,8-11,13H2,1H3/p+1/b20-12-