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

Systemtic Name: (4-butan-2-ylpiperazin-1-yl)-pyridin-4-yl-methanone; ethanedioic acid Openeye Name: oxalic acid; 4-pyridyl-(4-sec-butylpiperazin-1-yl)methanone CAS Name: (4-butan-2-yl-1-piperazinyl)-pyridin-4-ylmethanone; oxalic acid IUPAC Name: (4-butan-2-ylpiperazin-1-yl)-pyridin-4-ylmethanone; oxalic acid Traditional Name: oxalic acid; 4-pyridyl-(4-sec-butylpiperazino)methanone Formula: C16H23N3O5 MolecularWeight: 337.37092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O.C2H2O4/c1-3-12(2)16-8-10-17(11-9-16)14(18)13-4-6-15-7-5-13;3-1(4)2(5)6/h4-7,12H,3,8-11H2,1-2H3;(H,3,4)(H,5,6)