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

Systemtic Name: 4-oxidanylidene-3-[[(2R)-3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]chromen-2-olate Openeye Name: 4-oxo-3-[[(2R)-3-oxoquinuclidin-1-ium-2-yl]methyl]chromen-2-olate CAS Name: 4-oxo-3-[[(2R)-3-oxo-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]-1-benzopyran-2-olate IUPAC Name: 4-oxo-3-[[(2R)-3-oxo-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]chromen-2-olate Traditional Name: 4-keto-3-[[(2R)-3-ketoquinuclidin-1-ium-2-yl]methyl]chromen-2-olate Formula: C17H17NO4 MolecularWeight: 299.32118

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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/t13-/m1/s1