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

Systemtic Name: 1-[[(2S)-3-ethyl-2-(4-nitrophenyl)imidazolidin-3-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[(2S)-3-ethyl-2-(4-nitrophenyl)imidazolidin-3-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[(2S)-3-ethyl-2-(4-nitrophenyl)-1-imidazolidin-3-iumyl]methyl]benzotriazole IUPAC Name: 1-[[(2S)-3-ethyl-2-(4-nitrophenyl)imidazolidin-3-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[[(2S)-3-ethyl-2-(4-nitrophenyl)imidazolidin-3-ium-1-yl]methyl]benzotriazole Formula: C18H21N6O2+ MolecularWeight: 353.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(C1C2=CC=C(C=C2)[N+](=O)[O-])CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC[NH+]1CCN([C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H20N6O2/c1-2-21-11-12-22(13-23-17-6-4-3-5-16(17)19-20-23)18(21)14-7-9-15(10-8-14)24(25)26/h3-10,18H,2,11-13H2,1H3/p+1/t18-/m1/s1