1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(2-methylindolin-1-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 2-hydroxy-2-oxoacetate; 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2-methylindolin-1-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanone binoxalate Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H25N3O.C2H2O4/c1-17-15-18-7-5-6-10-20(18)24(17)21(25)16-22-11-13-23(14-12-22)19-8-3-2-4-9-19;3-1(4)2(5)6/h2-10,17H,11-16H2,1H3;(H,3,4)(H,5,6)