4-methyl-7-[2-(3-oxidanyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]chromen-2-one bromide

Systemtic Name: 4-methyl-7-[2-(3-oxidanyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]chromen-2-one bromide Openeye Name: 7-[2-(3-hydroxyquinuclidin-1-ium-1-yl)ethoxy]-4-methyl-chromen-2-one bromide CAS Name: 7-[2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]-4-methyl-1-benzopyran-2-one bromide IUPAC Name: 7-[2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]-4-methylchromen-2-one bromide Traditional Name: 7-[2-(3-hydroxyquinuclidin-1-ium-1-yl)ethoxy]-4-methyl-coumarin bromide Formula: C19H24BrNO4 MolecularWeight: 410.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC[N+]34CCC(CC3)C(C4)O.[Br-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC[N+]34CCC(CC3)C(C4)O.[Br-]

InChI

InChI=1S/C19H24NO4.BrH/c1-13-10-19(22)24-18-11-15(2-3-16(13)18)23-9-8-20-6-4-14(5-7-20)17(21)12-20;/h2-3,10-11,14,17,21H,4-9,12H2,1H3;1H/q+1;/p-1