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

Systemtic Name: ethanedioic acid; [4-[4-(phenylmethyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(4-benzylpiperazin-1-yl)-1-piperidyl]-(2-thienyl)methanone; oxalic acid CAS Name: oxalic acid; [4-[4-(phenylmethyl)-1-piperazinyl]-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(4-benzylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone; oxalic acid Traditional Name: [4-(4-benzylpiperazino)piperidino]-(2-thienyl)methanone; oxalic acid Formula: C23H29N3O5S MolecularWeight: 459.55846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3)C(=O)C4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27N3OS.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)