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

Systemtic Name: 10-methyl-N-propan-2-yl-N-(trifluoromethylsulfonyl)acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-isopropyl-10-methyl-N-(trifluoromethylsulfonyl)acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: 10-methyl-N-propan-2-yl-N-(trifluoromethylsulfonyl)-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: 10-methyl-N-propan-2-yl-N-(trifluoromethylsulfonyl)acridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: N-isopropyl-10-methyl-N-triflyl-acridin-10-ium-9-carboxamide triflate Formula: C20H18F6N2O6S2 MolecularWeight: 560.487139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(=O)C1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)N(C(=O)C1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H18F3N2O3S.CHF3O3S/c1-12(2)24(28(26,27)19(20,21)22)18(25)17-13-8-4-6-10-15(13)23(3)16-11-7-5-9-14(16)17;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1