dimethyl-[1-[[(5-nitro-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[(5-nitro-2-oxidanylidene-1H-pyridin-3-yl)carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[(5-nitro-2-oxo-1H-pyridin-3-yl)-oxomethyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cycloheptyl]azanium Traditional Name: [1-[[(2-keto-5-nitro-1H-pyridine-3-carbonyl)amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C16H25N4O4+ MolecularWeight: 337.3941

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC(=CNC2=O)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC(=CNC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O4/c1-19(2)16(7-5-3-4-6-8-16)11-18-15(22)13-9-12(20(23)24)10-17-14(13)21/h9-10H,3-8,11H2,1-2H3,(H,17,21)(H,18,22)/p+1