2-morpholin-4-ium-4-yl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 2-morpholin-4-ium-4-yl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 2-morpholin-4-ium-4-yl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(4-morpholin-4-iumyl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-morpholin-4-ium-4-yl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 2-morpholin-4-ium-4-yl-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C17H22F3N4O4+ MolecularWeight: 403.37619

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H21F3N4O4/c18-17(19,20)13-1-2-14(15(11-13)24(26)27)22-3-5-23(6-4-22)16(25)12-21-7-9-28-10-8-21/h1-2,11H,3-10,12H2/p+1