(E)-but-2-enedioate; 4-methylpyridin-1-ium

Systemtic Name: (E)-but-2-enedioate; 4-methylpyridin-1-ium Openeye Name: (E)-but-2-enedioate; 4-methylpyridin-1-ium CAS Name: (E)-2-butenedioate; 4-methylpyridin-1-ium IUPAC Name: (E)-but-2-enedioate; 4-methylpyridin-1-ium Traditional Name: 4-methylpyridin-1-ium fumarate Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[NH+]C=C1.CC1=CC=[NH+]C=C1.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC=[NH+]C=C1.CC1=CC=[NH+]C=C1.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C6H7N.C4H4O4/c2*1-6-2-4-7-5-3-6;5-3(6)1-2-4(7)8/h2*2-5H,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+