(2R)-2-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one

Systemtic Name: (2R)-2-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: (2R)-2-[(2-hydroxy-4-oxo-chromen-3-yl)methyl]quinuclidin-1-ium-3-one CAS Name: (2R)-2-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: (2R)-2-[(2-hydroxy-4-oxochromen-3-yl)methyl]-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: (2R)-2-[(2-hydroxy-4-keto-chromen-3-yl)methyl]quinuclidin-1-ium-3-one Formula: C17H18NO4+ MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=O)C2CC3=C(OC4=CC=CC=C4C3=O)O

Isomeric SMILES

C1C[NH+]2CCC1C(=O)[C@H]2CC3=C(OC4=CC=CC=C4C3=O)O

InChI

InChI=1S/C17H17NO4/c19-15-10-5-7-18(8-6-10)13(15)9-12-16(20)11-3-1-2-4-14(11)22-17(12)21/h1-4,10,13,21H,5-9H2/p+1/t13-/m1/s1