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

Systemtic Name: N-butyl-10-methyl-N-(2-nitrophenyl)sulfonyl-acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N-butyl-10-methyl-N-(2-nitrophenyl)sulfonyl-acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: N-butyl-10-methyl-N-(2-nitrophenyl)sulfonyl-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: N-butyl-10-methyl-N-(2-nitrophenyl)sulfonylacridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: N-butyl-10-methyl-N-(2-nitrophenyl)sulfonyl-acridin-10-ium-9-carboxamide triflate Formula: C26H24F3N3O8S2 MolecularWeight: 627.60927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H24N3O5S.CHF3O3S/c1-3-4-17-27(34(32,33)23-16-10-9-15-22(23)28(30)31)25(29)24-18-11-5-7-13-20(18)26(2)21-14-8-6-12-19(21)24;2-1(3,4)8(5,6)7/h5-16H,3-4,17H2,1-2H3;(H,5,6,7)/q+1;/p-1