(E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)quinoline

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)quinoline Openeye Name: fumaric acid; 2-(4-methylpiperazin-1-yl)quinoline CAS Name: (E)-2-butenedioic acid; 2-(4-methyl-1-piperazinyl)quinoline IUPAC Name: (E)-but-2-enedioic acid; 2-(4-methylpiperazin-1-yl)quinoline Traditional Name: fumaric acid; 2-(4-methylpiperazino)quinoline Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC3=CC=CC=C3C=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H17N3.C4H4O4/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14;5-3(6)1-2-4(7)8/h2-7H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+