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

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-phenoxy)-7-(2-oxidanyl-3-piperidin-1-yl-propoxy)chromen-4-one hydrochloride Openeye Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-[2-hydroxy-3-(1-piperidyl)propoxy]chromen-4-one hydrochloride CAS Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-[2-hydroxy-3-(1-piperidinyl)propoxy]-1-benzopyran-4-one hydrochloride IUPAC Name: 3-(4-chloro-3,5-dimethylphenoxy)-7-(2-hydroxy-3-piperidin-1-ylpropoxy)chromen-4-one hydrochloride Traditional Name: 3-(4-chloro-3,5-dimethyl-phenoxy)-7-(2-hydroxy-3-piperidino-propoxy)chromone hydrochloride Formula: C25H29Cl2NO5 MolecularWeight: 494.40746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCCC4)O.Cl

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC(CN4CCCCC4)O.Cl

InChI

InChI=1S/C25H28ClNO5.ClH/c1-16-10-20(11-17(2)24(16)26)32-23-15-31-22-12-19(6-7-21(22)25(23)29)30-14-18(28)13-27-8-4-3-5-9-27;/h6-7,10-12,15,18,28H,3-5,8-9,13-14H2,1-2H3;1H