N-(4-methylpiperazin-4-ium-1-yl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propanamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[2-nitro-4-(trifluoromethyl)anilino]propanamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[2-nitro-4-(trifluoromethyl)anilino]propionamide Formula: C15H21F3N5O3+ MolecularWeight: 376.35415

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H20F3N5O3/c1-21-6-8-22(9-7-21)20-14(24)4-5-19-12-3-2-11(15(16,17)18)10-13(12)23(25)26/h2-3,10,19H,4-9H2,1H3,(H,20,24)/p+1