ethanedioic acid; 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: ethanedioic acid; 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone; oxalic acid CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-(4-methyl-1-piperazinyl)ethanone; oxalic acid IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone; oxalic acid Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazino)ethanone; oxalic acid Formula: C20H25N3O9 MolecularWeight: 451.4272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCN(CC3)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21N3O.2C2H2O4/c1-12-16(13-5-3-4-6-14(13)17-12)15(20)11-19-9-7-18(2)8-10-19;2*3-1(4)2(5)6/h3-6,17H,7-11H2,1-2H3;2*(H,3,4)(H,5,6)