4-chloranyl-2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]iminomethyl]-6-nitro-phenolate Formula: C19H19ClFN3O4 MolecularWeight: 407.823263

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C3=CC=C(C=C3)F

Isomeric SMILES

C1COCC[NH+]1[C@@H](CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H19ClFN3O4/c20-15-9-14(19(25)17(10-15)24(26)27)11-22-12-18(23-5-7-28-8-6-23)13-1-3-16(21)4-2-13/h1-4,9-11,18,25H,5-8,12H2/t18-/m0/s1