N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methyl-piperazin-4-ium-1-amine

Systemtic Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methyl-piperazin-4-ium-1-amine Openeye Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methyl-piperazin-4-ium-1-amine CAS Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methyl-1-piperazin-4-iumamine IUPAC Name: N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-methylpiperazin-4-ium-1-amine Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)amine Formula: C12H15F3N5O4+ MolecularWeight: 350.27381

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H14F3N5O4/c1-17-2-4-18(5-3-17)16-11-9(19(21)22)6-8(12(13,14)15)7-10(11)20(23)24/h6-7,16H,2-5H2,1H3/p+1