N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide

Systemtic Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide Openeye Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide CAS Name: N-[2-[(2S,6R)-2,6-dimethyl-4-morpholin-4-iumyl]-2-methylpropyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide IUPAC Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methylpropyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide Traditional Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-3-[2-nitro-4-(trifluoromethyl)anilino]propionamide Formula: C20H30F3N4O4+ MolecularWeight: 447.47181

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C(C)(C)CNC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1C[NH+](C[C@@H](O1)C)C(C)(C)CNC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H29F3N4O4/c1-13-10-26(11-14(2)31-13)19(3,4)12-25-18(28)7-8-24-16-6-5-15(20(21,22)23)9-17(16)27(29)30/h5-6,9,13-14,24H,7-8,10-12H2,1-4H3,(H,25,28)/p+1/t13-,14+