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

Systemtic Name: 1-ethyl-4-oxidanylidene-3-(3-piperidin-1-ium-1-ylpropylcarbamoyl)quinolin-2-olate Openeye Name: 1-ethyl-4-oxo-3-(3-piperidin-1-ium-1-ylpropylcarbamoyl)quinolin-2-olate CAS Name: 1-ethyl-4-oxo-3-[oxo-[3-(1-piperidin-1-iumyl)propylamino]methyl]-2-quinolinolate IUPAC Name: 1-ethyl-4-oxo-3-(3-piperidin-1-ium-1-ylpropylcarbamoyl)quinolin-2-olate Traditional Name: 1-ethyl-4-keto-3-(3-piperidin-1-ium-1-ylpropylcarbamoyl)quinolin-2-olate Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-2-23-16-10-5-4-9-15(16)18(24)17(20(23)26)19(25)21-11-8-14-22-12-6-3-7-13-22/h4-5,9-10,26H,2-3,6-8,11-14H2,1H3,(H,21,25)