ethanedioic acid; 1-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde

Systemtic Name: ethanedioic acid; 1-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propyl]indole-3-carbaldehyde Openeye Name: 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carbaldehyde; oxalic acid CAS Name: 1-[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-3-indolecarboxaldehyde; oxalic acid IUPAC Name: 1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carbaldehyde; oxalic acid Traditional Name: 1-[2-hydroxy-3-(4-methylpiperazino)propyl]indole-3-carbaldehyde; oxalic acid Formula: C19H25N3O6 MolecularWeight: 391.4183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O2.C2H2O4/c1-18-6-8-19(9-7-18)11-15(22)12-20-10-14(13-21)16-4-2-3-5-17(16)20;3-1(4)2(5)6/h2-5,10,13,15,22H,6-9,11-12H2,1H3;(H,3,4)(H,5,6)