4-bromanyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitro-aniline

Systemtic Name: 4-bromanyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitro-aniline Openeye Name: 4-bromo-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitro-aniline CAS Name: 4-bromo-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-nitroaniline IUPAC Name: 4-bromo-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitroaniline Traditional Name: (4-bromo-2-nitro-phenyl)-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C13H19BrN3O2+ MolecularWeight: 329.21286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O2/c1-2-16-7-3-4-11(16)9-15-12-6-5-10(14)8-13(12)17(18)19/h5-6,8,11,15H,2-4,7,9H2,1H3/p+1/t11-/m0/s1