3-(3,5-dimethylphenoxy)-7-(2-oxidanyl-3-piperidin-1-yl-propoxy)chromen-4-one hydrochloride

Systemtic Name: 3-(3,5-dimethylphenoxy)-7-(2-oxidanyl-3-piperidin-1-yl-propoxy)chromen-4-one hydrochloride Openeye Name: 3-(3,5-dimethylphenoxy)-7-[2-hydroxy-3-(1-piperidyl)propoxy]chromen-4-one hydrochloride CAS Name: 3-(3,5-dimethylphenoxy)-7-[2-hydroxy-3-(1-piperidinyl)propoxy]-1-benzopyran-4-one hydrochloride IUPAC Name: 3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-piperidin-1-ylpropoxy)chromen-4-one hydrochloride Traditional Name: 3-(3,5-dimethylphenoxy)-7-(2-hydroxy-3-piperidino-propoxy)chromone hydrochloride Formula: C25H30ClNO5 MolecularWeight: 459.9624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCCC4)O)C.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCCC4)O)C.Cl

InChI

InChI=1S/C25H29NO5.ClH/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;1H