2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl 3,4-dimethoxybenzoate

Systemtic Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl 3,4-dimethoxybenzoate Openeye Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]ethyl ester IUPAC Name: 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl ester Formula: C22H25F3N3O6+ MolecularWeight: 484.44561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24F3N3O6/c1-32-19-6-3-15(13-20(19)33-2)21(29)34-12-11-26-7-9-27(10-8-26)17-5-4-16(22(23,24)25)14-18(17)28(30)31/h3-6,13-14H,7-12H2,1-2H3/p+1