N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-yl-ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholin-4-iumyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ium-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: 2-keto-N-[(2S)-2-(5-methyl-2-furyl)-2-morpholin-4-ium-4-yl-ethyl]-1H-quinoline-4-carboxamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC(=O)NC3=CC=CC=C32)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC(=O)NC3=CC=CC=C32)[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O4/c1-14-6-7-19(28-14)18(24-8-10-27-11-9-24)13-22-21(26)16-12-20(25)23-17-5-3-2-4-15(16)17/h2-7,12,18H,8-11,13H2,1H3,(H,22,26)(H,23,25)/p+1/t18-/m0/s1