1-azabicyclo[2.2.2]octane; carbamimidoyl-cyano-(4-fluorophenyl)carbonyl-propan-2-yl-azanium

Systemtic Name: 1-azabicyclo[2.2.2]octane; carbamimidoyl-cyano-(4-fluorophenyl)carbonyl-propan-2-yl-azanium Openeye Name: carbamimidoyl-cyano-(4-fluorobenzoyl)-isopropyl-ammonium; quinuclidine CAS Name: 1-azabicyclo[2.2.2]octane; carbamimidoyl-cyano-[(4-fluorophenyl)-oxomethyl]-propan-2-ylammonium IUPAC Name: 1-azabicyclo[2.2.2]octane; carbamimidoyl-cyano-(4-fluorobenzoyl)-propan-2-ylazanium Traditional Name: amidino-cyano-(4-fluorobenzoyl)-isopropyl-ammonium; quinuclidine Formula: C19H27FN5O+ MolecularWeight: 360.448983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FN4O.C7H13N/c1-8(2)17(7-14,12(15)16)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,(H3,15,16);7H,1-6H2/q+1;