5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 4-oxo-5-[[(3R)-quinuclidin-1-ium-3-yl]amino]-3H-phthalazin-1-olate CAS Name: 5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[(3R)-quinuclidin-1-ium-3-yl]amino]-3H-phthalazin-1-olate Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)NC3=CC=CC4=C3C(=O)NN=C4[O-]

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)NC3=CC=CC4=C3C(=O)NN=C4[O-]

InChI

InChI=1S/C15H18N4O2/c20-14-10-2-1-3-11(13(10)15(21)18-17-14)16-12-8-19-6-4-9(12)5-7-19/h1-3,9,12,16H,4-8H2,(H,17,20)(H,18,21)/t12-/m0/s1