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

Systemtic Name: ethanedioic acid; [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: oxalic acid; [4-(4-phenylpiperazin-1-yl)-1-piperidyl]-(2-thienyl)methanone CAS Name: oxalic acid; [4-(4-phenyl-1-piperazinyl)-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: oxalic acid; [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-thiophen-2-ylmethanone Traditional Name: oxalic acid; [4-(4-phenylpiperazino)piperidino]-(2-thienyl)methanone Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3OS.C2H2O4/c24-20(19-7-4-16-25-19)23-10-8-18(9-11-23)22-14-12-21(13-15-22)17-5-2-1-3-6-17;3-1(4)2(5)6/h1-7,16,18H,8-15H2;(H,3,4)(H,5,6)