(1Z)-2,7-dimethyl-7-oxidanidyl-5,6-dihydro-4H-1,2,4,7-tetrazocin-7-ium-3-one

Systemtic Name: (1Z)-2,7-dimethyl-7-oxidanidyl-5,6-dihydro-4H-1,2,4,7-tetrazocin-7-ium-3-one Openeye Name: (1Z)-2,7-dimethyl-7-oxido-5,6-dihydro-4H-1,2,4,7-tetrazocin-7-ium-3-one CAS Name: (1Z)-2,7-dimethyl-7-oxido-5,6-dihydro-4H-1,2,4,7-tetrazocin-7-ium-3-one IUPAC Name: (1Z)-2,7-dimethyl-7-oxido-5,6-dihydro-4H-1,2,4,7-tetrazocin-7-ium-3-one Traditional Name: (1Z)-2,7-dimethyl-7-oxido-5,6-dihydro-4H-1,2,4,7-tetrazocin-7-ium-3-one Formula: C6H12N4O2 MolecularWeight: 172.18508

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NCC[N+](C=N1)(C)[O-]

Isomeric SMILES

CN/1C(=O)NCC[N+](/C=N1)(C)[O-]

InChI

InChI=1S/C6H12N4O2/c1-9-6(11)7-3-4-10(2,12)5-8-9/h5H,3-4H2,1-2H3,(H,7,11)/b8-5-