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

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitro-aniline Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitro-aniline CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-nitroaniline IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-nitroaniline Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-(2-nitrophenyl)amine Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-2-15-9-5-6-11(15)10-14-12-7-3-4-8-13(12)16(17)18/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3/p+1/t11-/m0/s1