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

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)cinnolin-2-ium-4-olate Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]cinnolin-2-ium-4-olate CAS Name: 2-[2-oxo-2-(1-piperidinyl)ethyl]-4-cinnolin-2-iumolate IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)cinnolin-2-ium-4-olate Traditional Name: 2-(2-keto-2-piperidino-ethyl)cinnolin-2-ium-4-olate Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[N+]2=NC3=CC=CC=C3C(=C2)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C[N+]2=NC3=CC=CC=C3C(=C2)[O-]

InChI

InChI=1S/C15H17N3O2/c19-14-10-18(16-13-7-3-2-6-12(13)14)11-15(20)17-8-4-1-5-9-17/h2-3,6-7,10H,1,4-5,8-9,11H2