1-azabicyclo[2.2.2]octane; N-(N-cyano-N'-propan-2-yl-carbamimidoyl)-4-fluoranyl-benzamide

Systemtic Name: 1-azabicyclo[2.2.2]octane; N-(N-cyano-N'-propan-2-yl-carbamimidoyl)-4-fluoranyl-benzamide Openeye Name: N-(N-cyano-N'-isopropyl-carbamimidoyl)-4-fluoro-benzamide; quinuclidine CAS Name: 1-azabicyclo[2.2.2]octane; N-[(cyanoamino)-propan-2-yliminomethyl]-4-fluorobenzamide IUPAC Name: 1-azabicyclo[2.2.2]octane; N-(N-cyano-N'-propan-2-ylcarbamimidoyl)-4-fluorobenzamide Traditional Name: N-(N-cyano-N'-isopropyl-amidino)-4-fluoro-benzamide; quinuclidine Formula: C19H26FN5O MolecularWeight: 359.441043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13FN4O.C7H13N/c1-8(2)16-12(15-7-14)17-11(18)9-3-5-10(13)6-4-9;1-4-8-5-2-7(1)3-6-8/h3-6,8H,1-2H3,(H2,15,16,17,18);7H,1-6H2