N,10-dimethyl-N-(4-methylphenyl)sulfonyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: N,10-dimethyl-N-(4-methylphenyl)sulfonyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N,10-dimethyl-N-(p-tolylsulfonyl)acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: N,10-dimethyl-N-(4-methylphenyl)sulfonyl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: N,10-dimethyl-N-(4-methylphenyl)sulfonylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: N,10-dimethyl-N-tosyl-acridin-10-ium-9-carboxamide triflate Formula: C24H21F3N2O6S2 MolecularWeight: 554.55855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H21N2O3S.CHF3O3S/c1-16-12-14-17(15-13-16)29(27,28)25(3)23(26)22-18-8-4-6-10-20(18)24(2)21-11-7-5-9-19(21)22;2-1(3,4)8(5,6)7/h4-15H,1-3H3;(H,5,6,7)/q+1;/p-1