(4-butan-2-ylpiperazin-1-yl)-(3-chlorophenyl)methanone; ethanedioic acid

Systemtic Name: (4-butan-2-ylpiperazin-1-yl)-(3-chlorophenyl)methanone; ethanedioic acid Openeye Name: (3-chlorophenyl)-(4-sec-butylpiperazin-1-yl)methanone; oxalic acid CAS Name: (4-butan-2-yl-1-piperazinyl)-(3-chlorophenyl)methanone; oxalic acid IUPAC Name: (4-butan-2-ylpiperazin-1-yl)-(3-chlorophenyl)methanone; oxalic acid Traditional Name: (3-chlorophenyl)-(4-sec-butylpiperazino)methanone; oxalic acid Formula: C17H23ClN2O5 MolecularWeight: 370.82792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O.C2H2O4/c1-3-12(2)17-7-9-18(10-8-17)15(19)13-5-4-6-14(16)11-13;3-1(4)2(5)6/h4-6,11-12H,3,7-10H2,1-2H3;(H,3,4)(H,5,6)