3-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(3R)-quinuclidin-1-ium-3-yl]-2-thioxo-quinazolin-4-olate CAS Name: 3-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[(3R)-quinuclidin-1-ium-3-yl]-2-thioxo-quinazolin-4-olate Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)N3C(=C4C=CC=CC4=NC3=S)[O-]

Isomeric SMILES

C1C[NH+]2CCC1[C@H](C2)N3C(=C4C=CC=CC4=NC3=S)[O-]

InChI

InChI=1S/C15H17N3OS/c19-14-11-3-1-2-4-12(11)16-15(20)18(14)13-9-17-7-5-10(13)6-8-17/h1-4,10,13,19H,5-9H2/t13-/m0/s1