4-chloranyl-2-[[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]iminomethyl]-6-nitro-phenolate Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O4/c1-14(22-13-16-11-17(21)12-18(20(16)25)24(26)27)19(15-5-3-2-4-6-15)23-7-9-28-10-8-23/h2-6,11-14,19,25H,7-10H2,1H3/t14-,19-/m1/s1