3-[3-hexanoyl-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-[3-hexanoyl-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]acridin-10-ium-9-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: 3-(3-hexanoyl-1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)acridin-10-ium-9-carboxamide; trifluoromethanesulfonate CAS Name: 3-[1-hydroxy-2,5-dioxo-3-(1-oxohexyl)-1-pyrrolidin-1-iumyl]-9-acridin-10-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: 3-(3-hexanoyl-1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)acridin-10-ium-9-carboxamide; trifluoromethanesulfonate Traditional Name: 3-(3-caproyl-1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl)acridin-10-ium-9-carboxamide triflate Formula: C25H25F3N3O8S+ MolecularWeight: 584.54151

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1CC(=O)[N+](C1=O)(C2=CC3=[NH+]C4=CC=CC=C4C(=C3C=C2)C(=O)N)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC(=O)C1CC(=O)[N+](C1=O)(C2=CC3=[NH+]C4=CC=CC=C4C(=C3C=C2)C(=O)N)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C24H23N3O5.CHF3O3S/c1-2-3-4-9-20(28)17-13-21(29)27(32,24(17)31)14-10-11-16-19(12-14)26-18-8-6-5-7-15(18)22(16)23(25)30;2-1(3,4)8(5,6)7/h5-8,10-12,17,32H,2-4,9,13H2,1H3,(H-,25,30);(H,5,6,7)/p+1