N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]quinoline-2-carboxamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]quinoline-2-carboxamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]quinoline-2-carboxamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]quinaldamide Formula: C22H23FN3O2+ MolecularWeight: 380.435323

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O2/c23-18-8-5-17(6-9-18)21(26-11-13-28-14-12-26)15-24-22(27)20-10-7-16-3-1-2-4-19(16)25-20/h1-10,21H,11-15H2,(H,24,27)/p+1/t21-/m1/s1