2-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl]isoindoline-1,3-quinone Formula: C28H23N2O5+ MolecularWeight: 467.49262

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C5=C(O4)C(=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1COCC[N+]1(CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C5=C(O4)C(=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H23N2O5/c31-24-17-25(35-26-20(11-6-12-23(24)26)19-7-2-1-3-8-19)30(13-15-34-16-14-30)18-29-27(32)21-9-4-5-10-22(21)28(29)33/h1-12,17H,13-16,18H2/q+1