1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane; (E)-but-2-enedioic acid

Systemtic Name: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane; (E)-but-2-enedioic acid Openeye Name: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane; fumaric acid CAS Name: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane; (E)-2-butenedioic acid IUPAC Name: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane; (E)-but-2-enedioic acid Traditional Name: 1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane; fumaric acid Formula: C13H22Cl2N2O4+2 MolecularWeight: 341.23078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CC[N+]1(C2)CCCl)CCCl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C[N+]2(CC[N+]1(C2)CCCl)CCCl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H18Cl2N2.C4H4O4/c10-1-3-12-5-7-13(9-12,4-2-11)8-6-12;5-3(6)1-2-4(7)8/h1-9H2;1-2H,(H,5,6)(H,7,8)/q+2;/b;2-1+