(E)-but-2-enedioic acid; 3-methyl-1-(phenylmethyl)piperazine

Systemtic Name: (E)-but-2-enedioic acid; 3-methyl-1-(phenylmethyl)piperazine Openeye Name: 1-benzyl-3-methyl-piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-methyl-1-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-3-methylpiperazine; (E)-but-2-enedioic acid Traditional Name: 1-benzyl-3-methyl-piperazine; fumaric acid Formula: C20H26N2O8 MolecularWeight: 422.42904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)CC2=CC=CC=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1NCCN(C1)CC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H18N2.2C4H4O4/c1-11-9-14(8-7-13-11)10-12-5-3-2-4-6-12;2*5-3(6)1-2-4(7)8/h2-6,11,13H,7-10H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+