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

Systemtic Name: N-butyl-10-methyl-N-(4-methylphenyl)sulfonyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-butyl-10-methyl-N-(p-tolylsulfonyl)acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: N-butyl-10-methyl-N-(4-methylphenyl)sulfonyl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: N-butyl-10-methyl-N-(4-methylphenyl)sulfonylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: N-butyl-10-methyl-N-tosyl-acridin-10-ium-9-carboxamide triflate Formula: C27H27F3N2O6S2 MolecularWeight: 596.63829

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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=CC=C(C=C4)C.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=CC=C(C=C4)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H27N2O3S.CHF3O3S/c1-4-5-18-28(32(30,31)20-16-14-19(2)15-17-20)26(29)25-21-10-6-8-12-23(21)27(3)24-13-9-7-11-22(24)25;2-1(3,4)8(5,6)7/h6-17H,4-5,18H2,1-3H3;(H,5,6,7)/q+1;/p-1