(4-butan-2-ylpiperazin-1-yl)-thiophen-2-yl-methanone; ethanedioic acid

Systemtic Name: (4-butan-2-ylpiperazin-1-yl)-thiophen-2-yl-methanone; ethanedioic acid Openeye Name: oxalic acid; (4-sec-butylpiperazin-1-yl)-(2-thienyl)methanone CAS Name: (4-butan-2-yl-1-piperazinyl)-thiophen-2-ylmethanone; oxalic acid IUPAC Name: (4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone; oxalic acid Traditional Name: oxalic acid; (4-sec-butylpiperazino)-(2-thienyl)methanone Formula: C15H22N2O5S MolecularWeight: 342.41058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)C(=O)C2=CC=CS2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2OS.C2H2O4/c1-3-11(2)14-6-8-15(9-7-14)13(16)12-5-4-10-17-12;3-1(4)2(5)6/h4-5,10-11H,3,6-9H2,1-2H3;(H,3,4)(H,5,6)