2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-5-nitro-benzonitrile Formula: C19H20FN4O3+ MolecularWeight: 371.385503

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19FN4O3/c20-16-3-1-14(2-4-16)19(23-7-9-27-10-8-23)13-22-18-6-5-17(24(25)26)11-15(18)12-21/h1-6,11,19,22H,7-10,13H2/p+1/t19-/m0/s1