N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C14H18F3N4O4+ MolecularWeight: 363.31233

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H17F3N4O4/c1-2-19-5-3-4-10(19)8-18-13-11(20(22)23)6-9(14(15,16)17)7-12(13)21(24)25/h6-7,10,18H,2-5,8H2,1H3/p+1/t10-/m0/s1