N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-nitro-benzamide

Systemtic Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-nitro-benzamide Openeye Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-nitro-benzamide CAS Name: N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-4-nitrobenzamide Traditional Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-nitro-benzamide Formula: C19H21FN3O4+ MolecularWeight: 374.386143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O4/c20-16-5-1-14(2-6-16)18(22-9-11-27-12-10-22)13-21-19(24)15-3-7-17(8-4-15)23(25)26/h1-8,18H,9-13H2,(H,21,24)/p+1/t18-/m0/s1