4-(1,4-diazepan-4-ium-1-ylcarbonyl)-6-oxidanylidene-1H-pyridin-2-olate

Systemtic Name: 4-(1,4-diazepan-4-ium-1-ylcarbonyl)-6-oxidanylidene-1H-pyridin-2-olate Openeye Name: 4-(1,4-diazepan-4-ium-1-carbonyl)-6-oxo-1H-pyridin-2-olate CAS Name: 4-[1,4-diazepan-4-ium-1-yl(oxo)methyl]-6-oxo-1H-pyridin-2-olate IUPAC Name: 4-(1,4-diazepan-4-ium-1-carbonyl)-6-oxo-1H-pyridin-2-olate Traditional Name: 4-(1,4-diazepan-4-ium-1-carbonyl)-6-keto-1H-pyridin-2-olate Formula: C11H15N3O3 MolecularWeight: 237.2551

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC(=O)NC(=C2)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC(=O)NC(=C2)[O-]

InChI

InChI=1S/C11H15N3O3/c15-9-6-8(7-10(16)13-9)11(17)14-4-1-2-12-3-5-14/h6-7,12H,1-5H2,(H2,13,15,16)