3-(3,5-dimethylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(3,5-dimethylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(3,5-dimethylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxo-chromen-7-olate CAS Name: 3-(3,5-dimethylphenoxy)-8-(4-morpholin-4-iumylmethyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(3,5-dimethylphenoxy)-8-(morpholin-4-ium-4-ylmethyl)-4-oxochromen-7-olate Traditional Name: 3-(3,5-dimethylphenoxy)-4-keto-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH+]4CCOCC4)[O-])C

InChI

InChI=1S/C22H23NO5/c1-14-9-15(2)11-16(10-14)28-20-13-27-22-17(21(20)25)3-4-19(24)18(22)12-23-5-7-26-8-6-23/h3-4,9-11,13,24H,5-8,12H2,1-2H3