6-bromanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)cinnolin-2-ium-4-olate

Systemtic Name: 6-bromanyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)cinnolin-2-ium-4-olate Openeye Name: 6-bromo-2-[2-oxo-2-(1-piperidyl)ethyl]cinnolin-2-ium-4-olate CAS Name: 6-bromo-2-[2-oxo-2-(1-piperidinyl)ethyl]-4-cinnolin-2-iumolate IUPAC Name: 6-bromo-2-(2-oxo-2-piperidin-1-ylethyl)cinnolin-2-ium-4-olate Traditional Name: 6-bromo-2-(2-keto-2-piperidino-ethyl)cinnolin-2-ium-4-olate Formula: C15H16BrN3O2 MolecularWeight: 350.21044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[N+]2=NC3=C(C=C(C=C3)Br)C(=C2)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C[N+]2=NC3=C(C=C(C=C3)Br)C(=C2)[O-]

InChI

InChI=1S/C15H16BrN3O2/c16-11-4-5-13-12(8-11)14(20)9-19(17-13)10-15(21)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7,10H2