2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(2-methylindolin-1-yl)ethanone; 2-hydroxy-2-oxo-acetate CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone; 2-hydroxy-2-oxoacetate IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone; 2-hydroxy-2-oxoacetate Traditional Name: 1-(2-methylindolin-1-yl)-2-(4-piperonylpiperazin-4-ium-1-yl)ethanone binoxalate Formula: C25H29N3O7 MolecularWeight: 483.51366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H27N3O3.C2H2O4/c1-17-12-19-4-2-3-5-20(19)26(17)23(27)15-25-10-8-24(9-11-25)14-18-6-7-21-22(13-18)29-16-28-21;3-1(4)2(5)6/h2-7,13,17H,8-12,14-16H2,1H3;(H,3,4)(H,5,6)