ethanedioic acid; 4-[[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]methyl]-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carbonitrile

Systemtic Name: ethanedioic acid; 4-[[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]methyl]-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carbonitrile Openeye Name: 4-[[4-(1H-imidazol-5-ylmethyl)-1-piperidyl]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile; oxalic acid CAS Name: 4-[[4-(1H-imidazol-5-ylmethyl)-1-piperidinyl]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile; oxalic acid IUPAC Name: 4-[[4-(1H-imidazol-5-ylmethyl)piperidin-1-yl]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile; oxalic acid Traditional Name: 4-[[4-(1H-imidazol-5-ylmethyl)piperidino]methyl]-2-oxido-furazan-2-ium-3-carbonitrile; oxalic acid Formula: C15H18N6O6 MolecularWeight: 378.34002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CN=CN2)CC3=NO[N+](=C3C#N)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1CC2=CN=CN2)CC3=NO[N+](=C3C#N)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16N6O2.C2H2O4/c14-6-13-12(17-21-19(13)20)8-18-3-1-10(2-4-18)5-11-7-15-9-16-11;3-1(4)2(5)6/h7,9-10H,1-5,8H2,(H,15,16);(H,3,4)(H,5,6)