N-butyl-10-methyl-N-(2,4,6-trimethylphenyl)sulfonyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: N-butyl-10-methyl-N-(2,4,6-trimethylphenyl)sulfonyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-butyl-10-methyl-N-(2,4,6-trimethylphenyl)sulfonyl-acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: N-butyl-10-methyl-N-(2,4,6-trimethylphenyl)sulfonyl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: N-butyl-10-methyl-N-(2,4,6-trimethylphenyl)sulfonylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: N-butyl-N-mesitylsulfonyl-10-methyl-acridin-10-ium-9-carboxamide triflate Formula: C29H31F3N2O6S2 MolecularWeight: 624.69145

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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=C4C)C)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=C(C=C(C=C4C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H31N2O3S.CHF3O3S/c1-6-7-16-30(34(32,33)27-20(3)17-19(2)18-21(27)4)28(31)26-22-12-8-10-14-24(22)29(5)25-15-11-9-13-23(25)26;2-1(3,4)8(5,6)7/h8-15,17-18H,6-7,16H2,1-5H3;(H,5,6,7)/q+1;/p-1