2-(10-methylacridin-10-ium-9-yl)carbothioyloxyethanoyl 2,5-bis(oxidanylidene)pyrrolidine-3-carboxylate tetrafluoroborate

Systemtic Name: 2-(10-methylacridin-10-ium-9-yl)carbothioyloxyethanoyl 2,5-bis(oxidanylidene)pyrrolidine-3-carboxylate tetrafluoroborate Openeye Name: [2-(10-methylacridin-10-ium-9-carbothioyl)oxyacetyl] 2,5-dioxopyrrolidine-3-carboxylate tetrafluoroborate CAS Name: 2,5-dioxo-3-pyrrolidinecarboxylic acid [2-[(10-methyl-9-acridin-10-iumyl)-sulfanylidenemethoxy]-1-oxoethyl] ester tetrafluoroborate IUPAC Name: [2-(10-methylacridin-10-ium-9-carbothioyl)oxyacetyl] 2,5-dioxopyrrolidine-3-carboxylate tetrafluoroborate Traditional Name: 2,5-diketopyrrolidine-3-carboxylic acid [2-(10-methylacridin-10-ium-9-carbothioyl)oxyacetyl] ester tetrafluoroborate Formula: C22H17BF4N2O6S MolecularWeight: 524.249793

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=S)OCC(=O)OC(=O)C4CC(=O)NC4=O

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=S)OCC(=O)OC(=O)C4CC(=O)NC4=O

InChI

InChI=1S/C22H16N2O6S.BF4/c1-24-15-8-4-2-6-12(15)19(13-7-3-5-9-16(13)24)22(31)29-11-18(26)30-21(28)14-10-17(25)23-20(14)27;2-1(3,4)5/h2-9,14H,10-11H2,1H3;/q;-1/p+1