(E)-but-2-enedioic acid; 1-(phenylmethyl)piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-(phenylmethyl)piperazine Openeye Name: 1-benzylpiperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(phenylmethyl)piperazine IUPAC Name: 1-benzylpiperazine; (E)-but-2-enedioic acid Traditional Name: 1-benzylpiperazine; fumaric acid Formula: C19H24N2O8 MolecularWeight: 408.40246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1NCCN(C1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H16N2.2C4H4O4/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13;2*5-3(6)1-2-4(7)8/h1-5,12H,6-10H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+