5-methoxy-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-phenyl-chromen-7-olate

Systemtic Name: 5-methoxy-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-2-phenyl-chromen-7-olate Openeye Name: 5-methoxy-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-phenyl-chromen-7-olate CAS Name: 5-methoxy-8-(4-morpholin-4-iumylmethyl)-4-oxo-2-phenyl-1-benzopyran-7-olate IUPAC Name: 5-methoxy-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-2-phenylchromen-7-olate Traditional Name: 4-keto-5-methoxy-8-(morpholin-4-ium-4-ylmethyl)-2-phenyl-chromen-7-olate Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=O)C=C(OC2=C(C(=C1)[O-])C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=O)C=C(OC2=C(C(=C1)[O-])C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO5/c1-25-19-11-16(23)15(13-22-7-9-26-10-8-22)21-20(19)17(24)12-18(27-21)14-5-3-2-4-6-14/h2-6,11-12,23H,7-10,13H2,1H3