(E)-but-2-enedioic acid; 2-(furan-2-ylmethylamino)ethyl-dimethyl-pyridin-2-yl-azanium

Systemtic Name: (E)-but-2-enedioic acid; 2-(furan-2-ylmethylamino)ethyl-dimethyl-pyridin-2-yl-azanium Openeye Name: fumaric acid; 2-(2-furylmethylamino)ethyl-dimethyl-(2-pyridyl)ammonium CAS Name: (E)-2-butenedioic acid; 2-(2-furanylmethylamino)ethyl-dimethyl-(2-pyridinyl)ammonium IUPAC Name: (E)-but-2-enedioic acid; 2-(furan-2-ylmethylamino)ethyl-dimethyl-pyridin-2-ylazanium Traditional Name: fumaric acid; 2-(2-furfurylamino)ethyl-dimethyl-(2-pyridyl)ammonium Formula: C18H24N3O5+ MolecularWeight: 362.40026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNCC1=CC=CO1)C2=CC=CC=N2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[N+](C)(CCNCC1=CC=CO1)C2=CC=CC=N2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H20N3O.C4H4O4/c1-17(2,14-7-3-4-8-16-14)10-9-15-12-13-6-5-11-18-13;5-3(6)1-2-4(7)8/h3-8,11,15H,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q+1;/b;2-1+