2-[(2S)-1,3-bis[(4-chlorophenyl)methyl]imidazolidin-1-ium-2-yl]-4-nitro-phenolate

Systemtic Name: 2-[(2S)-1,3-bis[(4-chlorophenyl)methyl]imidazolidin-1-ium-2-yl]-4-nitro-phenolate Openeye Name: 2-[(2S)-1,3-bis[(4-chlorophenyl)methyl]imidazolidin-1-ium-2-yl]-4-nitro-phenolate CAS Name: 2-[(2S)-1,3-bis[(4-chlorophenyl)methyl]-2-imidazolidin-1-iumyl]-4-nitrophenolate IUPAC Name: 2-[(2S)-1,3-bis[(4-chlorophenyl)methyl]imidazolidin-1-ium-2-yl]-4-nitrophenolate Traditional Name: 2-[(2S)-1,3-bis(4-chlorobenzyl)imidazolidin-1-ium-2-yl]-4-nitro-phenolate Formula: C23H21Cl2N3O3 MolecularWeight: 458.33714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C([NH+]1CC2=CC=C(C=C2)Cl)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN([C@@H]([NH+]1CC2=CC=C(C=C2)Cl)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21Cl2N3O3/c24-18-5-1-16(2-6-18)14-26-11-12-27(15-17-3-7-19(25)8-4-17)23(26)21-13-20(28(30)31)9-10-22(21)29/h1-10,13,23,29H,11-12,14-15H2