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

Systemtic Name: (Z)-but-2-enedioic acid; N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine Openeye Name: maleic acid; N-[2-[4-(2-pyridyl)piperazin-1-yl]propyl]hexan-1-amine CAS Name: (Z)-2-butenedioic acid; N-[2-[4-(2-pyridinyl)-1-piperazinyl]propyl]-1-hexanamine IUPAC Name: (Z)-but-2-enedioic acid; N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine Traditional Name: hexyl-[2-[4-(2-pyridyl)piperazino]propyl]amine; maleic acid Formula: C56H84N8O20 MolecularWeight: 1189.30776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H32N4.5C4H4O4/c2*1-3-4-5-7-10-19-16-17(2)21-12-14-22(15-13-21)18-9-6-8-11-20-18;5*5-3(6)1-2-4(7)8/h2*6,8-9,11,17,19H,3-5,7,10,12-16H2,1-2H3;5*1-2H,(H,5,6)(H,7,8)/b;;5*2-1-