N1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-fluoranyl-benzene-1,2-diamine

Systemtic Name: N1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-fluoranyl-benzene-1,2-diamine Openeye Name: N1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-fluoro-benzene-1,2-diamine CAS Name: N1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-fluorobenzene-1,2-diamine IUPAC Name: 1-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-fluorobenzene-1,2-diamine Traditional Name: (2-amino-4-fluoro-phenyl)-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C13H21FN3+ MolecularWeight: 238.324343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20FN3/c1-2-17-7-3-4-11(17)9-16-13-6-5-10(14)8-12(13)15/h5-6,8,11,16H,2-4,7,9,15H2,1H3/p+1/t11-/m0/s1