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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)O

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=C(C=CC3=C2O/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/C3=O)O

InChI

InChI=1S/C22H22N2O5/c1-14-5-2-3-10-23(14)13-18-19(25)9-8-17-21(26)20(29-22(17)18)12-15-6-4-7-16(11-15)24(27)28/h4,6-9,11-12,14,25H,2-3,5,10,13H2,1H3/p+1/b20-12+/t14-/m1/s1