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

Systemtic Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-1-(2-methylindolin-1-yl)ethanone; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone; 2-hydroxy-2-oxoacetate Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-1-(2-methylindolin-1-yl)ethanone binoxalate Formula: C24H29N3O5 MolecularWeight: 439.50416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O.C2H2O4/c1-18-15-20-9-5-6-10-21(20)25(18)22(26)17-24-13-11-23(12-14-24)16-19-7-3-2-4-8-19;3-1(4)2(5)6/h2-10,18H,11-17H2,1H3;(H,3,4)(H,5,6)