prop-2-enyl 3-[[4-[(3-oxidanylidene-4-propylsulfonyl-4-aza-1-azoniabicyclo[3.2.1]octan-1-yl)methyl]phenyl]carbonylamino]propanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: prop-2-enyl 3-[[4-[(3-oxidanylidene-4-propylsulfonyl-4-aza-1-azoniabicyclo[3.2.1]octan-1-yl)methyl]phenyl]carbonylamino]propanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: allyl 3-[[4-[(3-oxo-4-propylsulfonyl-4-aza-1-azoniabicyclo[3.2.1]octan-1-yl)methyl]benzoyl]amino]propanoate; 2,2,2-trifluoroacetate CAS Name: 3-[[oxo-[4-[(3-oxo-4-propylsulfonyl-4-aza-1-azoniabicyclo[3.2.1]octan-1-yl)methyl]phenyl]methyl]amino]propanoic acid prop-2-enyl ester; 2,2,2-trifluoroacetate IUPAC Name: prop-2-enyl 3-[[4-[(3-oxo-4-propylsulfonyl-4-aza-1-azoniabicyclo[3.2.1]octan-1-yl)methyl]benzoyl]amino]propanoate; 2,2,2-trifluoroacetate Traditional Name: 3-[[4-[(3-keto-4-propylsulfonyl-4-aza-1-azoniabicyclo[3.2.1]octan-1-yl)methyl]benzoyl]amino]propionic acid allyl ester; 2,2,2-trifluoroacetate Formula: C25H32F3N3O8S MolecularWeight: 591.59709

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1C2CC[N+](C2)(CC1=O)CC3=CC=C(C=C3)C(=O)NCCC(=O)OCC=C.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCCS(=O)(=O)N1C2CC[N+](C2)(CC1=O)CC3=CC=C(C=C3)C(=O)NCCC(=O)OCC=C.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C23H31N3O6S.C2HF3O2/c1-3-13-32-22(28)9-11-24-23(29)19-7-5-18(6-8-19)15-26-12-10-20(16-26)25(21(27)17-26)33(30,31)14-4-2;3-2(4,5)1(6)7/h3,5-8,20H,1,4,9-17H2,2H3;(H,6,7)