4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide

Systemtic Name: 4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Openeye Name: 4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: 4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: 4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]benzamide Traditional Name: 4-cyano-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C20H21FN3O2+ MolecularWeight: 354.398043

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O2/c21-18-7-5-16(6-8-18)19(24-9-11-26-12-10-24)14-23-20(25)17-3-1-15(13-22)2-4-17/h1-8,19H,9-12,14H2,(H,23,25)/p+1/t19-/m1/s1