N-(4-bromophenyl)sulfonyl-10-methyl-N-propan-2-yl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: N-(4-bromophenyl)sulfonyl-10-methyl-N-propan-2-yl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-(4-bromophenyl)sulfonyl-N-isopropyl-10-methyl-acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: N-(4-bromophenyl)sulfonyl-10-methyl-N-propan-2-yl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: N-(4-bromophenyl)sulfonyl-10-methyl-N-propan-2-ylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: N-brosyl-N-isopropyl-10-methyl-acridin-10-ium-9-carboxamide triflate Formula: C25H22BrF3N2O6S2 MolecularWeight: 647.48119

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

InChI

InChI=1S/C24H22BrN2O3S.CHF3O3S/c1-16(2)27(31(29,30)18-14-12-17(25)13-15-18)24(28)23-19-8-4-6-10-21(19)26(3)22-11-7-5-9-20(22)23;2-1(3,4)8(5,6)7/h4-16H,1-3H3;(H,5,6,7)/q+1;/p-1