N-butyl-N-(2,4-dinitrophenyl)sulfonyl-10-methyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: N-butyl-N-(2,4-dinitrophenyl)sulfonyl-10-methyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-butyl-N-(2,4-dinitrophenyl)sulfonyl-10-methyl-acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: N-butyl-N-(2,4-dinitrophenyl)sulfonyl-10-methyl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: N-butyl-N-(2,4-dinitrophenyl)sulfonyl-10-methylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: N-butyl-N-(2,4-dinitrophenyl)sulfonyl-10-methyl-acridin-10-ium-9-carboxamide triflate Formula: C26H23F3N4O10S2 MolecularWeight: 672.60683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCN(C(=O)C1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C)S(=O)(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H23N4O7S.CHF3O3S/c1-3-4-15-27(37(35,36)23-14-13-17(28(31)32)16-22(23)29(33)34)25(30)24-18-9-5-7-11-20(18)26(2)21-12-8-6-10-19(21)24;2-1(3,4)8(5,6)7/h5-14,16H,3-4,15H2,1-2H3;(H,5,6,7)/q+1;/p-1