ethanedioic acid; furan-2-yl-[4-[4-(phenylmethyl)piperazin-1-yl]piperidin-1-yl]methanone

Systemtic Name: ethanedioic acid; furan-2-yl-[4-[4-(phenylmethyl)piperazin-1-yl]piperidin-1-yl]methanone Openeye Name: [4-(4-benzylpiperazin-1-yl)-1-piperidyl]-(2-furyl)methanone; oxalic acid CAS Name: 2-furanyl-[4-[4-(phenylmethyl)-1-piperazinyl]-1-piperidinyl]methanone; oxalic acid IUPAC Name: [4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-(furan-2-yl)methanone; oxalic acid Traditional Name: [4-(4-benzylpiperazino)piperidino]-(2-furyl)methanone; oxalic acid Formula: C23H29N3O6 MolecularWeight: 443.49286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3)C(=O)C4=CC=CO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3)C(=O)C4=CC=CO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3O2.C2H2O4/c25-21(20-7-4-16-26-20)24-10-8-19(9-11-24)23-14-12-22(13-15-23)17-18-5-2-1-3-6-18;3-1(4)2(5)6/h1-7,16,19H,8-15,17H2;(H,3,4)(H,5,6)