N4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-(trifluoromethyl)benzene-1,4-diamine

Systemtic Name: N4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-(trifluoromethyl)benzene-1,4-diamine Openeye Name: N4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-(trifluoromethyl)benzene-1,4-diamine CAS Name: N4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-(trifluoromethyl)benzene-1,4-diamine IUPAC Name: 4-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-(trifluoromethyl)benzene-1,4-diamine Traditional Name: [4-amino-3-(trifluoromethyl)phenyl]-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C14H21F3N3+ MolecularWeight: 288.33185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20F3N3/c1-2-20-7-3-4-11(20)9-19-10-5-6-13(18)12(8-10)14(15,16)17/h5-6,8,11,19H,2-4,7,9,18H2,1H3/p+1/t11-/m0/s1