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

Systemtic Name: N-(4-bromophenyl)sulfonyl-N-butyl-10-methyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-(4-bromophenyl)sulfonyl-N-butyl-10-methyl-acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: N-(4-bromophenyl)sulfonyl-N-butyl-10-methyl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: N-(4-bromophenyl)sulfonyl-N-butyl-10-methylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: N-brosyl-N-butyl-10-methyl-acridin-10-ium-9-carboxamide triflate Formula: C26H24BrF3N2O6S2 MolecularWeight: 661.50777

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

InChI

InChI=1S/C25H24BrN2O3S.CHF3O3S/c1-3-4-17-28(32(30,31)19-15-13-18(26)14-16-19)25(29)24-20-9-5-7-11-22(20)27(2)23-12-8-6-10-21(23)24;2-1(3,4)8(5,6)7/h5-16H,3-4,17H2,1-2H3;(H,5,6,7)/q+1;/p-1