1-(4-butan-2-ylpiperazin-1-yl)-2-phenyl-ethanone; ethanedioic acid

Systemtic Name: 1-(4-butan-2-ylpiperazin-1-yl)-2-phenyl-ethanone; ethanedioic acid Openeye Name: oxalic acid; 2-phenyl-1-(4-sec-butylpiperazin-1-yl)ethanone CAS Name: 1-(4-butan-2-yl-1-piperazinyl)-2-phenylethanone; oxalic acid IUPAC Name: 1-(4-butan-2-ylpiperazin-1-yl)-2-phenylethanone; oxalic acid Traditional Name: oxalic acid; 2-phenyl-1-(4-sec-butylpiperazino)ethanone Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C(=O)CC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)C(=O)CC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O.C2H2O4/c1-3-14(2)17-9-11-18(12-10-17)16(19)13-15-7-5-4-6-8-15;3-1(4)2(5)6/h4-8,14H,3,9-13H2,1-2H3;(H,3,4)(H,5,6)