(E)-but-2-enedioic acid; 1-ethyl-1-(pyridin-4-ylamino)pyrrol-1-ium-3-carbaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 1-ethyl-1-(pyridin-4-ylamino)pyrrol-1-ium-3-carbaldehyde Openeye Name: 1-ethyl-1-(4-pyridylamino)pyrrol-1-ium-3-carbaldehyde; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-ethyl-1-(pyridin-4-ylamino)-3-pyrrol-1-iumcarboxaldehyde IUPAC Name: (E)-but-2-enedioic acid; 1-ethyl-1-(pyridin-4-ylamino)pyrrol-1-ium-3-carbaldehyde Traditional Name: 1-ethyl-1-(4-pyridylamino)pyrrol-1-ium-3-carbaldehyde; fumaric acid Formula: C16H18N3O5+ MolecularWeight: 332.33122

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=CC(=C1)C=O)NC2=CC=NC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC[N+]1(C=CC(=C1)C=O)NC2=CC=NC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H14N3O.C4H4O4/c1-2-15(8-5-11(9-15)10-16)14-12-3-6-13-7-4-12;5-3(6)1-2-4(7)8/h3-10H,2H2,1H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/q+1;/b;2-1+