10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-isopropyl-10-methyl-N-(p-tolylsulfonyl)acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-yl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: 10-methyl-N-(4-methylphenyl)sulfonyl-N-propan-2-ylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: N-isopropyl-10-methyl-N-tosyl-acridin-10-ium-9-carboxamide triflate Formula: C26H25F3N2O6S2 MolecularWeight: 582.61171

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H25N2O3S.CHF3O3S/c1-17(2)27(31(29,30)19-15-13-18(3)14-16-19)25(28)24-20-9-5-7-11-22(20)26(4)23-12-8-6-10-21(23)24;2-1(3,4)8(5,6)7/h5-17H,1-4H3;(H,5,6,7)/q+1;/p-1