1-ethyl-4-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)quinolin-2-olate

Systemtic Name: 1-ethyl-4-oxidanylidene-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)quinolin-2-olate Openeye Name: 1-ethyl-4-oxo-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)quinolin-2-olate CAS Name: 1-ethyl-4-oxo-3-[oxo-[2-(1-piperidin-1-iumyl)ethylamino]methyl]-2-quinolinolate IUPAC Name: 1-ethyl-4-oxo-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)quinolin-2-olate Traditional Name: 1-ethyl-4-keto-3-(2-piperidin-1-ium-1-ylethylcarbamoyl)quinolin-2-olate Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C19H25N3O3/c1-2-22-15-9-5-4-8-14(15)17(23)16(19(22)25)18(24)20-10-13-21-11-6-3-7-12-21/h4-5,8-9,25H,2-3,6-7,10-13H2,1H3,(H,20,24)