3-(3,5-dimethylphenoxy)-7-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]chromen-4-one

Systemtic Name: 3-(3,5-dimethylphenoxy)-7-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]chromen-4-one Openeye Name: 3-(3,5-dimethylphenoxy)-7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]chromen-4-one CAS Name: 3-(3,5-dimethylphenoxy)-7-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-1-benzopyran-4-one IUPAC Name: 3-(3,5-dimethylphenoxy)-7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]chromen-4-one Traditional Name: 3-(3,5-dimethylphenoxy)-7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]chromone Formula: C25H30NO5+ MolecularWeight: 424.5094

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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+]4CCCCC4)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC[C@H](C[NH+]4CCCCC4)O)C

InChI

InChI=1S/C25H29NO5/c1-17-10-18(2)12-21(11-17)31-24-16-30-23-13-20(6-7-22(23)25(24)28)29-15-19(27)14-26-8-4-3-5-9-26/h6-7,10-13,16,19,27H,3-5,8-9,14-15H2,1-2H3/p+1/t19-/m0/s1