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

Systemtic Name: [4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 2,2-dimethylbutanoate Openeye Name: [4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic 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-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl ester Formula: C26H30NO5+ MolecularWeight: 436.5201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30NO5/c1-4-26(2,3)25(29)31-18-27(13-15-30-16-14-27)23-17-22(28)21-12-8-11-20(24(21)32-23)19-9-6-5-7-10-19/h5-12,17H,4,13-16,18H2,1-3H3/q+1