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

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-oxidanylidene-1H-quinoline-4-carboxamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-oxo-1H-quinoline-4-carboxamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-keto-1H-quinoline-4-carboxamide Formula: C22H23FN3O3+ MolecularWeight: 396.434723

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC(=O)NC3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC(=O)NC3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O3/c23-16-7-5-15(6-8-16)20(26-9-11-29-12-10-26)14-24-22(28)18-13-21(27)25-19-4-2-1-3-17(18)19/h1-8,13,20H,9-12,14H2,(H,24,28)(H,25,27)/p+1/t20-/m0/s1