(E)-but-2-enedioic acid; 2-(piperazin-1-ylmethyl)aniline

Systemtic Name: (E)-but-2-enedioic acid; 2-(piperazin-1-ylmethyl)aniline Openeye Name: fumaric acid; 2-(piperazin-1-ylmethyl)aniline CAS Name: (E)-2-butenedioic acid; 2-(1-piperazinylmethyl)aniline IUPAC Name: (E)-but-2-enedioic acid; 2-(piperazin-1-ylmethyl)aniline Traditional Name: fumaric acid; [2-(piperazinomethyl)phenyl]amine Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC=CC=C2N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)CC2=CC=CC=C2N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H17N3.C4H4O4/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14;5-3(6)1-2-4(7)8/h1-4,13H,5-9,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+