(E)-but-2-enedioic acid; 5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-1-oxidanidyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: (E)-but-2-enedioic acid; 5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-1-oxidanidyl-pyridin-1-ium-3-carbonitrile Openeye Name: 5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-1-oxido-pyridin-1-ium-3-carbonitrile; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-1-oxido-3-pyridin-1-iumcarbonitrile IUPAC Name: (E)-but-2-enedioic acid; 5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-1-oxidopyridin-1-ium-3-carbonitrile Traditional Name: 5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]-1-oxido-pyridin-1-ium-3-carbonitrile; fumaric acid Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C2CN1)C3=C[N+](=CC(=C3)C#N)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1[C@@H]2CN([C@@H]2CN1)C3=C[N+](=CC(=C3)C#N)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H12N4O.C4H4O4/c12-2-8-1-10(7-14(16)5-8)15-6-9-3-13-4-11(9)15;5-3(6)1-2-4(7)8/h1,5,7,9,11,13H,3-4,6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+/t9-,11-;/m1./s1