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

Systemtic Name: 4-[[[1H-imidazol-5-yl(piperidin-4-yl)methyl]amino]methyl]-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-carbonitrile Openeye Name: 4-[[[1H-imidazol-5-yl(4-piperidyl)methyl]amino]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile CAS Name: 4-[[[1H-imidazol-5-yl(4-piperidinyl)methyl]amino]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile IUPAC Name: 4-[[[1H-imidazol-5-yl(piperidin-4-yl)methyl]amino]methyl]-2-oxido-1,2,5-oxadiazol-2-ium-3-carbonitrile Traditional Name: 4-[[[1H-imidazol-5-yl(4-piperidyl)methyl]amino]methyl]-2-oxido-furazan-2-ium-3-carbonitrile Formula: C13H17N7O2 MolecularWeight: 303.31978

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C2=CN=CN2)NCC3=NO[N+](=C3C#N)[O-]

Isomeric SMILES

C1CNCCC1C(C2=CN=CN2)NCC3=NO[N+](=C3C#N)[O-]

InChI

InChI=1S/C13H17N7O2/c14-5-12-10(19-22-20(12)21)7-17-13(11-6-16-8-18-11)9-1-3-15-4-2-9/h6,8-9,13,15,17H,1-4,7H2,(H,16,18)