1-azabicyclo[2.2.2]octane; N-(N'-tert-butyl-N-cyano-carbamimidoyl)-4-fluoranyl-benzamide

Systemtic Name: 1-azabicyclo[2.2.2]octane; N-(N'-tert-butyl-N-cyano-carbamimidoyl)-4-fluoranyl-benzamide Openeye Name: N-(N'-tert-butyl-N-cyano-carbamimidoyl)-4-fluoro-benzamide; quinuclidine CAS Name: 1-azabicyclo[2.2.2]octane; N-[tert-butylimino-(cyanoamino)methyl]-4-fluorobenzamide IUPAC Name: 1-azabicyclo[2.2.2]octane; N-(N'-tert-butyl-N-cyanocarbamimidoyl)-4-fluorobenzamide Traditional Name: N-(N'-tert-butyl-N-cyano-amidino)-4-fluoro-benzamide; quinuclidine Formula: C20H28FN5O MolecularWeight: 373.467623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC#N)NC(=O)C1=CC=C(C=C1)F.C1CN2CCC1CC2

Isomeric SMILES

CC(C)(C)N=C(NC#N)NC(=O)C1=CC=C(C=C1)F.C1CN2CCC1CC2

InChI

InChI=1S/C13H15FN4O.C7H13N/c1-13(2,3)18-12(16-8-15)17-11(19)9-4-6-10(14)7-5-9;1-4-8-5-2-7(1)3-6-8/h4-7H,1-3H3,(H2,16,17,18,19);7H,1-6H2