N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C20H23F3N3O4+ MolecularWeight: 426.40953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C20H22F3N3O4/c1-29-16-5-2-14(3-6-16)19(25-8-10-30-11-9-25)13-24-17-7-4-15(20(21,22)23)12-18(17)26(27)28/h2-7,12,19,24H,8-11,13H2,1H3/p+1/t19-/m0/s1