ethanedioic acid; [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: ethanedioic acid; [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: oxalic acid; [4-(3-pyridylmethyl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: oxalic acid; [4-(3-pyridinylmethyl)-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: oxalic acid; [4-(pyridin-3-ylmethyl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: oxalic acid; [4-(3-pyridylmethyl)piperazino]-(2-thienyl)methanone Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC=CS3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H17N3OS.C2H2O4/c19-15(14-4-2-10-20-14)18-8-6-17(7-9-18)12-13-3-1-5-16-11-13;3-1(4)2(5)6/h1-5,10-11H,6-9,12H2;(H,3,4)(H,5,6)