N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]-1H-quinoline-4-carboxamide Formula: C20H21N4O3+ MolecularWeight: 365.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=CC(=C2)CNC(=O)C3=CC(=O)NC4=CC=CC=C43

Isomeric SMILES

C1COCCN1C2=[NH+]C=CC(=C2)CNC(=O)C3=CC(=O)NC4=CC=CC=C43

InChI

InChI=1S/C20H20N4O3/c25-19-12-16(15-3-1-2-4-17(15)23-19)20(26)22-13-14-5-6-21-18(11-14)24-7-9-27-10-8-24/h1-6,11-12H,7-10,13H2,(H,22,26)(H,23,25)/p+1