2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-N-pyridin-1-ium-3-yl-quinoline-3-carboxamide

Systemtic Name: 2-oxidanyl-4-oxidanylidene-1-prop-2-enyl-N-pyridin-1-ium-3-yl-quinoline-3-carboxamide Openeye Name: 1-allyl-2-hydroxy-4-oxo-N-pyridin-1-ium-3-yl-quinoline-3-carboxamide CAS Name: 2-hydroxy-4-oxo-1-prop-2-enyl-N-(3-pyridin-1-iumyl)-3-quinolinecarboxamide IUPAC Name: 2-hydroxy-4-oxo-1-prop-2-enyl-N-pyridin-1-ium-3-ylquinoline-3-carboxamide Traditional Name: 1-allyl-2-hydroxy-4-keto-N-pyridin-1-ium-3-yl-quinoline-3-carboxamide Formula: C18H16N3O3+ MolecularWeight: 322.33794

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C[NH+]=CC=C3

Isomeric SMILES

C=CCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=C[NH+]=CC=C3

InChI

InChI=1S/C18H15N3O3/c1-2-10-21-14-8-4-3-7-13(14)16(22)15(18(21)24)17(23)20-12-6-5-9-19-11-12/h2-9,11,24H,1,10H2,(H,20,23)/p+1