1-ethyl-2-oxidanyl-4-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-3-carboxamide

Systemtic Name: 1-ethyl-2-oxidanyl-4-oxidanylidene-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-3-carboxamide Openeye Name: 1-ethyl-2-hydroxy-4-oxo-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-3-carboxamide CAS Name: 1-ethyl-2-hydroxy-4-oxo-N-[3-(1-piperidin-1-iumyl)propyl]-3-quinolinecarboxamide IUPAC Name: 1-ethyl-2-hydroxy-4-oxo-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-3-carboxamide Traditional Name: 1-ethyl-2-hydroxy-4-keto-N-(3-piperidin-1-ium-1-ylpropyl)quinoline-3-carboxamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NCCC[NH+]3CCCCC3

Isomeric SMILES

CCN1C2=CC=CC=C2C(=O)C(=C1O)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)/p+1