4-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl]benzoic acid Openeye Name: 4-[[4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl]benzoic acid CAS Name: 4-[[4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methyl]benzoic acid IUPAC Name: 4-[[4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methyl]benzoic acid Traditional Name: 4-[[4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl]benzoic acid Formula: C27H24NO5+ MolecularWeight: 442.48316

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CC2=CC=C(C=C2)C(=O)O)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[N+]1(CC2=CC=C(C=C2)C(=O)O)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23NO5/c29-24-17-25(33-26-22(7-4-8-23(24)26)20-5-2-1-3-6-20)28(13-15-32-16-14-28)18-19-9-11-21(12-10-19)27(30)31/h1-12,17H,13-16,18H2/p+1