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

Systemtic Name: [4-(4-oxidanylidene-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 4-methoxybenzoate Openeye Name: [4-(4-oxo-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-(4-keto-8-phenyl-chromen-2-yl)morpholin-4-ium-4-yl]methyl ester Formula: C28H26NO6+ MolecularWeight: 472.50914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC[N+]2(CCOCC2)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC[N+]2(CCOCC2)C3=CC(=O)C4=C(O3)C(=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26NO6/c1-32-22-12-10-21(11-13-22)28(31)34-19-29(14-16-33-17-15-29)26-18-25(30)24-9-5-8-23(27(24)35-26)20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3/q+1