3-(2-methoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2-methoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-methoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 3-(2-methoxyphenoxy)-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxyphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 4-keto-3-(2-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=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-]

Isomeric SMILES

COC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-]

InChI

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