(2,6-dimethylphenyl) 3-chloranyl-10-methyl-acridin-10-ium-1-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (2,6-dimethylphenyl) 3-chloranyl-10-methyl-acridin-10-ium-1-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: (2,6-dimethylphenyl) 3-chloro-10-methyl-acridin-10-ium-1-carboxylate; trifluoromethanesulfonate CAS Name: 3-chloro-10-methyl-1-acridin-10-iumcarboxylic acid (2,6-dimethylphenyl) ester; trifluoromethanesulfonate IUPAC Name: (2,6-dimethylphenyl) 3-chloro-10-methylacridin-10-ium-1-carboxylate; trifluoromethanesulfonate Traditional Name: 3-chloro-10-methyl-acridin-10-ium-1-carboxylic acid (2,6-dimethylphenyl) ester triflate Formula: C24H19ClF3NO5S MolecularWeight: 525.92457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC3=[N+](C4=CC=CC=C4C=C23)C)Cl.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC3=[N+](C4=CC=CC=C4C=C23)C)Cl.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H19ClNO2.CHF3O3S/c1-14-7-6-8-15(2)22(14)27-23(26)19-12-17(24)13-21-18(19)11-16-9-4-5-10-20(16)25(21)3;2-1(3,4)8(5,6)7/h4-13H,1-3H3;(H,5,6,7)/q+1;/p-1