[(1S,2S)-2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethyl] ethanoate

Systemtic Name: [(1S,2S)-2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethyl] ethanoate Openeye Name: [(1S,2S)-2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethyl] acetate CAS Name: acetic acid [(1S,2S)-2-(2,4-diphenyl-1-pyridin-1-iumyl)-1-(3-nitrophenyl)-2-phenylethyl] ester IUPAC Name: [(1S,2S)-2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenylethyl] acetate Traditional Name: acetic acid [(1S,2S)-2-(2,4-diphenylpyridin-1-ium-1-yl)-1-(3-nitrophenyl)-2-phenyl-ethyl] ester Formula: C33H27N2O4+ MolecularWeight: 515.57848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC(=CC=C1)[N+](=O)[O-])C(C2=CC=CC=C2)[N+]3=C(C=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)O[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])[C@H](C2=CC=CC=C2)[N+]3=C(C=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H27N2O4/c1-24(36)39-33(29-18-11-19-30(22-29)35(37)38)32(27-16-9-4-10-17-27)34-21-20-28(25-12-5-2-6-13-25)23-31(34)26-14-7-3-8-15-26/h2-23,32-33H,1H3/q+1/t32-,33-/m0/s1