ethanedioic acid; (3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone

Systemtic Name: ethanedioic acid; (3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)-1-piperidyl]methanone; oxalic acid CAS Name: (3-methoxyphenyl)-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]methanone; oxalic acid IUPAC Name: (3-methoxyphenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone; oxalic acid Traditional Name: (3-methoxyphenyl)-[4-(4-methylpiperazino)piperidino]methanone; oxalic acid Formula: C20H29N3O6 MolecularWeight: 407.46076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O2.C2H2O4/c1-19-10-12-20(13-11-19)16-6-8-21(9-7-16)18(22)15-4-3-5-17(14-15)23-2;3-1(4)2(5)6/h3-5,14,16H,6-13H2,1-2H3;(H,3,4)(H,5,6)