N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-oxidanylidene-1H-quinoline-4-carboxamide

Systemtic Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-2-keto-1H-quinoline-4-carboxamide Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(CNC(=O)C1=CC(=O)NC2=CC=CC=C21)[NH+]3CCOCC3

Isomeric SMILES

CCC(CC)[C@H](CNC(=O)C1=CC(=O)NC2=CC=CC=C21)[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3O3/c1-3-15(4-2)19(24-9-11-27-12-10-24)14-22-21(26)17-13-20(25)23-18-8-6-5-7-16(17)18/h5-8,13,15,19H,3-4,9-12,14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t19-/m0/s1