8-ethanoyl-4-methyl-7-[2-oxidanyl-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propoxy]chromen-2-one chloride

Systemtic Name: 8-ethanoyl-4-methyl-7-[2-oxidanyl-3-(4-oxidanyl-4-phenyl-piperidin-1-yl)propoxy]chromen-2-one chloride Openeye Name: 8-acetyl-7-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidyl)propoxy]-4-methyl-chromen-2-one chloride CAS Name: 8-acetyl-7-[2-hydroxy-3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy]-4-methyl-1-benzopyran-2-one chloride IUPAC Name: 8-acetyl-7-[2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]-4-methylchromen-2-one chloride Traditional Name: 8-acetyl-7-[2-hydroxy-3-(4-hydroxy-4-phenyl-piperidino)propoxy]-4-methyl-coumarin chloride Formula: C26H29ClNO6- MolecularWeight: 486.96456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)OCC(CN3CCC(CC3)(C4=CC=CC=C4)O)O.[Cl-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)OCC(CN3CCC(CC3)(C4=CC=CC=C4)O)O.[Cl-]

InChI

InChI=1S/C26H29NO6.ClH/c1-17-14-23(30)33-25-21(17)8-9-22(24(25)18(2)28)32-16-20(29)15-27-12-10-26(31,11-13-27)19-6-4-3-5-7-19;/h3-9,14,20,29,31H,10-13,15-16H2,1-2H3;1H/p-1