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

Systemtic Name: 8-methyl-4-oxidanylidene-3-[[(2R)-3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]chromen-2-olate Openeye Name: 8-methyl-4-oxo-3-[[(2R)-3-oxoquinuclidin-1-ium-2-yl]methyl]chromen-2-olate CAS Name: 8-methyl-4-oxo-3-[[(2R)-3-oxo-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]-1-benzopyran-2-olate IUPAC Name: 8-methyl-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]-8-methyl-chromen-2-olate Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC(=C(C2=O)CC3C(=O)C4CC[NH+]3CC4)[O-]

Isomeric SMILES

CC1=CC=CC2=C1OC(=C(C2=O)C[C@@H]3C(=O)C4CC[NH+]3CC4)[O-]

InChI

InChI=1S/C18H19NO4/c1-10-3-2-4-12-16(21)13(18(22)23-17(10)12)9-14-15(20)11-5-7-19(14)8-6-11/h2-4,11,14,22H,5-9H2,1H3/t14-/m1/s1