ethanedioic acid; 6-methoxy-N-[6-[4-(phenylmethyl)piperazin-1-yl]hexyl]quinolin-8-amine

Systemtic Name: ethanedioic acid; 6-methoxy-N-[6-[4-(phenylmethyl)piperazin-1-yl]hexyl]quinolin-8-amine Openeye Name: N-[6-(4-benzylpiperazin-1-yl)hexyl]-6-methoxy-quinolin-8-amine; oxalic acid CAS Name: 6-methoxy-N-[6-[4-(phenylmethyl)-1-piperazinyl]hexyl]-8-quinolinamine; oxalic acid IUPAC Name: N-[6-(4-benzylpiperazin-1-yl)hexyl]-6-methoxyquinolin-8-amine; oxalic acid Traditional Name: 6-(4-benzylpiperazino)hexyl-(6-methoxy-8-quinolyl)amine; oxalic acid Formula: C31H40N4O9 MolecularWeight: 612.6707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=CC=N2)NCCCCCCN3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C2C(=C1)C=CC=N2)NCCCCCCN3CCN(CC3)CC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H36N4O.2C2H2O4/c1-32-25-20-24-12-9-14-29-27(24)26(21-25)28-13-7-2-3-8-15-30-16-18-31(19-17-30)22-23-10-5-4-6-11-23;2*3-1(4)2(5)6/h4-6,9-12,14,20-21,28H,2-3,7-8,13,15-19,22H2,1H3;2*(H,3,4)(H,5,6)