2-[(2S)-3-ethyl-2-(4-nitrophenyl)imidazolidin-3-ium-1-yl]ethanenitrile

Systemtic Name: 2-[(2S)-3-ethyl-2-(4-nitrophenyl)imidazolidin-3-ium-1-yl]ethanenitrile Openeye Name: 2-[(2S)-3-ethyl-2-(4-nitrophenyl)imidazolidin-3-ium-1-yl]acetonitrile CAS Name: 2-[(2S)-3-ethyl-2-(4-nitrophenyl)-1-imidazolidin-3-iumyl]acetonitrile IUPAC Name: 2-[(2S)-3-ethyl-2-(4-nitrophenyl)imidazolidin-3-ium-1-yl]acetonitrile Traditional Name: 2-[(2S)-3-ethyl-2-(4-nitrophenyl)imidazolidin-3-ium-1-yl]acetonitrile Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(C1C2=CC=C(C=C2)[N+](=O)[O-])CC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O2/c1-2-15-9-10-16(8-7-14)13(15)11-3-5-12(6-4-11)17(18)19/h3-6,13H,2,8-10H2,1H3/p+1/t13-/m1/s1