N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C19H21F3N3O3+ MolecularWeight: 396.38355

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C[C@H](C2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20F3N3O3/c20-19(21,22)15-6-7-16(18(12-15)25(26)27)23-17(14-4-2-1-3-5-14)13-24-8-10-28-11-9-24/h1-7,12,17,23H,8-11,13H2/p+1/t17-/m1/s1