1-azabicyclo[2.2.2]octane; tert-butyl-carbamimidoyl-cyano-(4-fluorophenyl)carbonyl-azanium

Systemtic Name: 1-azabicyclo[2.2.2]octane; tert-butyl-carbamimidoyl-cyano-(4-fluorophenyl)carbonyl-azanium Openeye Name: tert-butyl-carbamimidoyl-cyano-(4-fluorobenzoyl)ammonium; quinuclidine CAS Name: 1-azabicyclo[2.2.2]octane; tert-butyl-carbamimidoyl-cyano-[(4-fluorophenyl)-oxomethyl]ammonium IUPAC Name: 1-azabicyclo[2.2.2]octane; tert-butyl-carbamimidoyl-cyano-(4-fluorobenzoyl)azanium Traditional Name: amidino-tert-butyl-cyano-(4-fluorobenzoyl)ammonium; quinuclidine Formula: C20H29FN5O+ MolecularWeight: 374.475563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](C#N)(C(=O)C1=CC=C(C=C1)F)C(=N)N.C1CN2CCC1CC2

Isomeric SMILES

CC(C)(C)[N+](C#N)(C(=O)C1=CC=C(C=C1)F)C(=N)N.C1CN2CCC1CC2

InChI

InChI=1S/C13H16FN4O.C7H13N/c1-13(2,3)18(8-15,12(16)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,(H3,16,17);7H,1-6H2/q+1;