[4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-(4-oxo-8-phenyl-1-benzopyran-2-yl)-4-morpholin-4-iumyl]methyl ester IUPAC Name: [4-(4-oxo-8-phenylchromen-2-yl)morpholin-4-ium-4-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl ester Formula: C25H28NO5+ MolecularWeight: 422.49352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC[N+]1(CCOCC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)OC[N+]1(CCOCC1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28NO5/c1-25(2,3)24(28)30-17-26(12-14-29-15-13-26)22-16-21(27)20-11-7-10-19(23(20)31-22)18-8-5-4-6-9-18/h4-11,16H,12-15,17H2,1-3H3/q+1