[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl] 6-(decanoylamino)-1H-indole-4-carboxylate

Systemtic Name: [1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl] 6-(decanoylamino)-1H-indole-4-carboxylate Openeye Name: (1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl) 6-(decanoylamino)-1H-indole-4-carboxylate CAS Name: 6-(1-oxodecylamino)-1H-indole-4-carboxylic acid (1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl) ester IUPAC Name: (1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl) 6-(decanoylamino)-1H-indole-4-carboxylate Traditional Name: 6-(caprylamino)-1H-indole-4-carboxylic acid (1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl) ester Formula: C23H30N3O6+ MolecularWeight: 444.5008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NC1=CC2=C(C=CN2)C(=C1)C(=O)O[N+]3(C(=O)CCC3=O)O

Isomeric SMILES

CCCCCCCCCC(=O)NC1=CC2=C(C=CN2)C(=C1)C(=O)O[N+]3(C(=O)CCC3=O)O

InChI

InChI=1S/C23H29N3O6/c1-2-3-4-5-6-7-8-9-20(27)25-16-14-18(17-12-13-24-19(17)15-16)23(30)32-26(31)21(28)10-11-22(26)29/h12-15,31H,2-11H2,1H3,(H-,24,25,27,30)/p+1