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

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-nitro-aniline Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-nitro-aniline CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-nitroaniline IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-nitroaniline Traditional Name: [(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl-(4-nitrophenyl)amine Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-2-15-9-3-4-13(15)10-14-11-5-7-12(8-6-11)16(17)18/h5-8,13-14H,2-4,9-10H2,1H3/p+1/t13-/m0/s1