[2,4,5-tris(chloranyl)phenyl] 10-methylacridin-10-ium-9-carboxylate

Systemtic Name: [2,4,5-tris(chloranyl)phenyl] 10-methylacridin-10-ium-9-carboxylate Openeye Name: (2,4,5-trichlorophenyl) 10-methylacridin-10-ium-9-carboxylate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid (2,4,5-trichlorophenyl) ester IUPAC Name: (2,4,5-trichlorophenyl) 10-methylacridin-10-ium-9-carboxylate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid (2,4,5-trichlorophenyl) ester Formula: C21H13Cl3NO2+ MolecularWeight: 417.69242

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC(=C(C=C4Cl)Cl)Cl

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC(=C(C=C4Cl)Cl)Cl

InChI

InChI=1S/C21H13Cl3NO2/c1-25-17-8-4-2-6-12(17)20(13-7-3-5-9-18(13)25)21(26)27-19-11-15(23)14(22)10-16(19)24/h2-11H,1H3/q+1