N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C22H26F3N4O5+ MolecularWeight: 483.46085

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)OCCOC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C22H25F3N4O5/c1-27-7-9-28(10-8-27)18-5-3-15(13-19(18)29(31)32)21(30)26-17-14-16(22(23,24)25)4-6-20(17)34-12-11-33-2/h3-6,13-14H,7-12H2,1-2H3,(H,26,30)/p+1