1-oxidanylidene-2H-azepin-1-ium-3-one

Systemtic Name: 1-oxidanylidene-2H-azepin-1-ium-3-one Openeye Name: 1-oxo-2H-azepin-1-ium-3-one CAS Name: 1-oxo-2H-azepin-1-ium-3-one IUPAC Name: 1-oxo-2H-azepin-1-ium-3-one Traditional Name: 1-keto-2H-azepin-1-ium-3-one Formula: C24H24N4O8+4 MolecularWeight: 496.46936

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C=CC=C[N+]1=O.C1C(=O)C=CC=C[N+]1=O.C1C(=O)C=CC=C[N+]1=O.C1C(=O)C=CC=C[N+]1=O

Isomeric SMILES

C1C(=O)C=CC=C[N+]1=O.C1C(=O)C=CC=C[N+]1=O.C1C(=O)C=CC=C[N+]1=O.C1C(=O)C=CC=C[N+]1=O

InChI

InChI=1S/4C6H6NO2/c4*8-6-3-1-2-4-7(9)5-6/h4*1-4H,5H2/q4*+1