N-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[2-(4-methyl-1-piperazin-1-iumyl)ethyl]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]amine Formula: C14H19F3N5O4+ MolecularWeight: 378.32697

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CCNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H18F3N5O4/c1-19-4-6-20(7-5-19)3-2-18-13-11(21(23)24)8-10(14(15,16)17)9-12(13)22(25)26/h8-9,18H,2-7H2,1H3/p+1