6-bromanyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)cinnolin-2-ium-4-olate

Systemtic Name: 6-bromanyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)cinnolin-2-ium-4-olate Openeye Name: 6-bromo-2-(2-morpholino-2-oxo-ethyl)cinnolin-2-ium-4-olate CAS Name: 6-bromo-2-[2-(4-morpholinyl)-2-oxoethyl]-4-cinnolin-2-iumolate IUPAC Name: 6-bromo-2-(2-morpholin-4-yl-2-oxoethyl)cinnolin-2-ium-4-olate Traditional Name: 6-bromo-2-(2-keto-2-morpholino-ethyl)cinnolin-2-ium-4-olate Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C[N+]2=NC3=C(C=C(C=C3)Br)C(=C2)[O-]

Isomeric SMILES

C1COCCN1C(=O)C[N+]2=NC3=C(C=C(C=C3)Br)C(=C2)[O-]

InChI

InChI=1S/C14H14BrN3O3/c15-10-1-2-12-11(7-10)13(19)8-18(16-12)9-14(20)17-3-5-21-6-4-17/h1-2,7-8H,3-6,9H2