(Z)-[3-(2-aza-3-azoniabicyclo[2.2.2]oct-2-en-3-yl)cyclopentyl]-deuterio-(1-deuteriooxyethylidene)azanium dihexafluorophosphate

Systemtic Name: (Z)-[3-(2-aza-3-azoniabicyclo[2.2.2]oct-2-en-3-yl)cyclopentyl]-deuterio-(1-deuteriooxyethylidene)azanium dihexafluorophosphate Openeye Name: (Z)-[3-(2-aza-3-azoniabicyclo[2.2.2]oct-2-en-3-yl)cyclopentyl]-deuterio-(1-deuteriooxyethylidene)ammonium dihexafluorophosphate CAS Name: (Z)-[3-(2-aza-3-azoniabicyclo[2.2.2]oct-2-en-3-yl)cyclopentyl]-deuterio-(1-deuteriooxyethylidene)ammonium dihexafluorophosphate IUPAC Name: (Z)-[3-(2-aza-3-azoniabicyclo[2.2.2]oct-2-en-3-yl)cyclopentyl]-deuterio-(1-deuteriooxyethylidene)azanium dihexafluorophosphate Traditional Name: (Z)-[3-(2-aza-3-azoniabicyclo[2.2.2]oct-2-en-3-yl)cyclopentyl]-deuterio-(1-deuteriooxyethylidene)ammonium dihexafluorophosphate Formula: C13H23F12N3OP2 MolecularWeight: 529.281904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]C1CCC(C1)[N+]2=NC3CCC2CC3)O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

Isomeric SMILES

[2H]/[N+](=C(\C)/O[2H])/C1CCC(C1)[N+]2=NC3CCC2CC3.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C13H21N3O.2F6P/c1-9(17)14-11-4-7-13(8-11)16-12-5-2-10(15-16)3-6-12;2*1-7(2,3,4,5)6/h10-13H,2-8H2,1H3;;/q;2*-1/p+2/i/hD2