ethanedioic acid; 3-[(4-methylpiperazin-1-yl)methyl]chromen-4-one

Systemtic Name: ethanedioic acid; 3-[(4-methylpiperazin-1-yl)methyl]chromen-4-one Openeye Name: 3-[(4-methylpiperazin-1-yl)methyl]chromen-4-one; oxalic acid CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]-1-benzopyran-4-one; oxalic acid IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]chromen-4-one; oxalic acid Traditional Name: 3-[(4-methylpiperazino)methyl]chromone; oxalic acid Formula: C17H20N2O6 MolecularWeight: 348.3505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=COC3=CC=CC=C3C2=O.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC2=COC3=CC=CC=C3C2=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H18N2O2.C2H2O4/c1-16-6-8-17(9-7-16)10-12-11-19-14-5-3-2-4-13(14)15(12)18;3-1(4)2(5)6/h2-5,11H,6-10H2,1H3;(H,3,4)(H,5,6)