3-chloranyl-12-oxidanidyl-9-(trifluoromethyl)-5aH-benzimidazolo[1,2-b]isoquinoline-5,12-diium 5-oxide

Systemtic Name: 3-chloranyl-12-oxidanidyl-9-(trifluoromethyl)-5aH-benzimidazolo[1,2-b]isoquinoline-5,12-diium 5-oxide Openeye Name: 3-chloro-12-oxido-9-(trifluoromethyl)-5aH-benzimidazolo[1,2-b]isoquinoline-5,12-diium 5-oxide CAS Name: 3-chloro-12-oxido-9-(trifluoromethyl)-5aH-benzimidazolo[1,2-b]isoquinoline-5,12-diium 5-oxide IUPAC Name: 3-chloro-12-oxido-9-(trifluoromethyl)-5aH-benzimidazolo[1,2-b]isoquinoline-5,12-diium 5-oxide Traditional Name: 3-chloro-12-oxido-9-(trifluoromethyl)-5aH-benzimidazol[1,2-b]isoquinoline-5,12-diium 5-oxide Formula: C16H9ClF3N2O2+ MolecularWeight: 353.70307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C[N+]3(C(C=C21)[N+](=O)C4=C3C=CC(=C4)Cl)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC2=C[N+]3(C(C=C21)[N+](=O)C4=C3C=CC(=C4)Cl)[O-])C(F)(F)F

InChI

InChI=1S/C16H9ClF3N2O2/c17-12-3-4-14-13(7-12)21(23)15-6-9-1-2-11(16(18,19)20)5-10(9)8-22(14,15)24/h1-8,15H/q+1