2,6-dinitro-N-(2-piperazin-4-ium-1-ylethyl)-4-(trifluoromethyl)aniline

Systemtic Name: 2,6-dinitro-N-(2-piperazin-4-ium-1-ylethyl)-4-(trifluoromethyl)aniline Openeye Name: 2,6-dinitro-N-(2-piperazin-4-ium-1-ylethyl)-4-(trifluoromethyl)aniline CAS Name: 2,6-dinitro-N-[2-(1-piperazin-4-iumyl)ethyl]-4-(trifluoromethyl)aniline IUPAC Name: 2,6-dinitro-N-(2-piperazin-4-ium-1-ylethyl)-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(2-piperazin-4-ium-1-ylethyl)amine Formula: C13H17F3N5O4+ MolecularWeight: 364.30039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H16F3N5O4/c14-13(15,16)9-7-10(20(22)23)12(11(8-9)21(24)25)18-3-6-19-4-1-17-2-5-19/h7-8,17-18H,1-6H2/p+1