3-(3-methoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(3-methoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3-methoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 3-(3-methoxyphenoxy)-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3-methoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 4-keto-3-(3-methoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C21H21NO6/c1-25-14-3-2-4-15(11-14)28-19-13-27-21-16(20(19)24)5-6-18(23)17(21)12-22-7-9-26-10-8-22/h2-6,11,13,23H,7-10,12H2,1H3