2-[1,3-bis(phenylmethyl)imidazolidine-1,3-diium-2-yl]-4-nitro-phenolate

Systemtic Name: 2-[1,3-bis(phenylmethyl)imidazolidine-1,3-diium-2-yl]-4-nitro-phenolate Openeye Name: 2-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)-4-nitro-phenolate CAS Name: 2-[1,3-bis(phenylmethyl)-2-imidazolidine-1,3-diiumyl]-4-nitrophenolate IUPAC Name: 2-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)-4-nitrophenolate Traditional Name: 2-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)-4-nitro-phenolate Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C([NH+]1CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C([NH+]1CC2=CC=CC=C2)C3=C(C=CC(=C3)[N+](=O)[O-])[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3/c27-22-12-11-20(26(28)29)15-21(22)23-24(16-18-7-3-1-4-8-18)13-14-25(23)17-19-9-5-2-6-10-19/h1-12,15,23,27H,13-14,16-17H2/p+1