3-(3,5-dimethylphenoxy)-7-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-7-[(2S)-3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy]chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-7-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-7-[(2S)-2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-7-[(2S)-2-hydroxy-3-morpholin-4-ium-4-ylpropoxy]chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-7-[(2S)-2-hydroxy-3-morpholin-4-ium-4-yl-propoxy]chromone Formula: C24H28NO6+ MolecularWeight: 426.48222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(C[NH+]4CCOCC4)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC[C@H](C[NH+]4CCOCC4)O)C

InChI

InChI=1S/C24H27NO6/c1-16-9-17(2)11-20(10-16)31-23-15-30-22-12-19(3-4-21(22)24(23)27)29-14-18(26)13-25-5-7-28-8-6-25/h3-4,9-12,15,18,26H,5-8,13-14H2,1-2H3/p+1/t18-/m0/s1