(E)-but-2-enedioic acid; N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine Openeye Name: fumaric acid; N-[2-[4-(2-pyridyl)piperazin-1-yl]propyl]hexan-1-amine CAS Name: (E)-2-butenedioic acid; N-[2-[4-(2-pyridinyl)-1-piperazinyl]propyl]-1-hexanamine IUPAC Name: (E)-but-2-enedioic acid; N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine Traditional Name: fumaric acid; hexyl-[2-[4-(2-pyridyl)piperazino]propyl]amine Formula: C22H36N4O4 MolecularWeight: 420.54564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC(C)N1CCN(CC1)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCNCC(C)N1CCN(CC1)C2=CC=CC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H32N4.C4H4O4/c1-3-4-5-7-10-19-16-17(2)21-12-14-22(15-13-21)18-9-6-8-11-20-18;5-3(6)1-2-4(7)8/h6,8-9,11,17,19H,3-5,7,10,12-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+