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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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