dimethyl (E)-2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)but-2-enedioate

Systemtic Name: dimethyl (E)-2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)but-2-enedioate Openeye Name: dimethyl (E)-2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)but-2-enedioate CAS Name: (E)-2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)but-2-enedioate Traditional Name: (E)-2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)but-2-enedioic acid dimethyl ester Formula: C12H19N2O4+ MolecularWeight: 255.29026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)[N+]12CCN(CC1)CC2

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/[N+]12CCN(CC1)CC2

InChI

InChI=1S/C12H19N2O4/c1-17-11(15)9-10(12(16)18-2)14-6-3-13(4-7-14)5-8-14/h9H,3-8H2,1-2H3/q+1/b10-9+