2-cyclohexyl-3-methyl-6-[6-(4-oxidanylpiperidin-1-yl)hexoxy]chromen-4-one hydrochloride

Systemtic Name: 2-cyclohexyl-3-methyl-6-[6-(4-oxidanylpiperidin-1-yl)hexoxy]chromen-4-one hydrochloride Openeye Name: 2-cyclohexyl-6-[6-(4-hydroxy-1-piperidyl)hexoxy]-3-methyl-chromen-4-one hydrochloride CAS Name: 2-cyclohexyl-6-[6-(4-hydroxy-1-piperidinyl)hexoxy]-3-methyl-1-benzopyran-4-one hydrochloride IUPAC Name: 2-cyclohexyl-6-[6-(4-hydroxypiperidin-1-yl)hexoxy]-3-methylchromen-4-one hydrochloride Traditional Name: 2-cyclohexyl-6-[6-(4-hydroxypiperidino)hexoxy]-3-methyl-chromone hydrochloride Formula: C27H40ClNO4 MolecularWeight: 478.0638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=C(C=C2)OCCCCCCN3CCC(CC3)O)C4CCCCC4.Cl

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=C(C=C2)OCCCCCCN3CCC(CC3)O)C4CCCCC4.Cl

InChI

InChI=1S/C27H39NO4.ClH/c1-20-26(30)24-19-23(11-12-25(24)32-27(20)21-9-5-4-6-10-21)31-18-8-3-2-7-15-28-16-13-22(29)14-17-28;/h11-12,19,21-22,29H,2-10,13-18H2,1H3;1H