ethanedioic acid; 1-[3-[(E)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperazin-1-yl)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[3-[(E)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperazin-1-yl)propan-2-ol Openeye Name: (3E)-1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]indole-3-carbaldehyde oxime; oxalic acid CAS Name: (3E)-1-[2-hydroxy-3-(4-methyl-1-piperazinyl)propyl]-3-indolecarboxaldehyde oxime; oxalic acid IUPAC Name: 1-[3-[(E)-hydroxyiminomethyl]indol-1-yl]-3-(4-methylpiperazin-1-yl)propan-2-ol; oxalic acid Traditional Name: (3E)-1-[2-hydroxy-3-(4-methylpiperazino)propyl]indole-3-carbaldehyde oxime; oxalic acid Formula: C19H26N4O6 MolecularWeight: 406.43294

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=NO)O.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2.C2H2O4/c1-19-6-8-20(9-7-19)12-15(22)13-21-11-14(10-18-23)16-4-2-3-5-17(16)21;3-1(4)2(5)6/h2-5,10-11,15,22-23H,6-9,12-13H2,1H3;(H,3,4)(H,5,6)/b18-10+;