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

Systemtic Name: 1-azabicyclo[2.2.2]octane; N-(N-cyano-N'-methyl-carbamimidoyl)-4-fluoranyl-benzamide Openeye Name: N-(N-cyano-N'-methyl-carbamimidoyl)-4-fluoro-benzamide; quinuclidine CAS Name: 1-azabicyclo[2.2.2]octane; N-[(cyanoamino)-methyliminomethyl]-4-fluorobenzamide IUPAC Name: 1-azabicyclo[2.2.2]octane; N-(N-cyano-N'-methylcarbamimidoyl)-4-fluorobenzamide Traditional Name: N-(N-cyano-N'-methyl-amidino)-4-fluoro-benzamide; quinuclidine Formula: C17H22FN5O MolecularWeight: 331.387883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9FN4O.C7H13N/c1-13-10(14-6-12)15-9(16)7-2-4-8(11)5-3-7;1-4-8-5-2-7(1)3-6-8/h2-5H,1H3,(H2,13,14,15,16);7H,1-6H2