(E)-but-2-enedioic acid; 1-piperazin-1-ylisoquinoline

Systemtic Name: (E)-but-2-enedioic acid; 1-piperazin-1-ylisoquinoline Openeye Name: fumaric acid; 1-piperazin-1-ylisoquinoline CAS Name: (E)-2-butenedioic acid; 1-(1-piperazinyl)isoquinoline IUPAC Name: (E)-but-2-enedioic acid; 1-piperazin-1-ylisoquinoline Traditional Name: fumaric acid; 1-piperazinoisoquinoline Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC=CC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15N3.C4H4O4/c1-2-4-12-11(3-1)5-6-15-13(12)16-9-7-14-8-10-16;5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+