2-(4,5-dimethoxy-2-nitro-phenyl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium

Systemtic Name: 2-(4,5-dimethoxy-2-nitro-phenyl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium Openeye Name: 1,3-dibenzyl-2-(4,5-dimethoxy-2-nitro-phenyl)imidazolidine-1,3-diium CAS Name: 2-(4,5-dimethoxy-2-nitrophenyl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium IUPAC Name: 1,3-dibenzyl-2-(4,5-dimethoxy-2-nitrophenyl)imidazolidine-1,3-diium Traditional Name: 1,3-dibenzyl-2-(4,5-dimethoxy-2-nitro-phenyl)imidazolidine-1,3-diium Formula: C25H29N3O4+2 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2[NH+](CC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2[NH+](CC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H27N3O4/c1-31-23-15-21(22(28(29)30)16-24(23)32-2)25-26(17-19-9-5-3-6-10-19)13-14-27(25)18-20-11-7-4-8-12-20/h3-12,15-16,25H,13-14,17-18H2,1-2H3/p+2