trimethyl-[[5-[2,2,2-tris(fluoranyl)ethanoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]methyl]azanium iodide

Systemtic Name: trimethyl-[[5-[2,2,2-tris(fluoranyl)ethanoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]methyl]azanium iodide Openeye Name: trimethyl-[[5-(2,2,2-trifluoroacetyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]methyl]ammonium iodide CAS Name: trimethyl-[[5-(2,2,2-trifluoro-1-oxoethyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]methyl]ammonium iodide IUPAC Name: trimethyl-[[5-(2,2,2-trifluoroacetyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]methyl]azanium iodide Traditional Name: trimethyl-[[5-(2,2,2-trifluoroacetyl)-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-9-yl]methyl]ammonium iodide Formula: C18H21F3IN3O MolecularWeight: 479.27852

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=C2N1CC3=CC=CC=C3N(C2)C(=O)C(F)(F)F.[I-]

Isomeric SMILES

C[N+](C)(C)CC1=CC=C2N1CC3=CC=CC=C3N(C2)C(=O)C(F)(F)F.[I-]

InChI

InChI=1S/C18H21F3N3O.HI/c1-24(2,3)12-15-9-8-14-11-23(17(25)18(19,20)21)16-7-5-4-6-13(16)10-22(14)15;/h4-9H,10-12H2,1-3H3;1H/q+1;/p-1