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

Systemtic Name: 2-(5-bromanyl-2,4-dimethoxy-phenyl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium Openeye Name: 1,3-dibenzyl-2-(5-bromo-2,4-dimethoxy-phenyl)imidazolidine-1,3-diium CAS Name: 2-(5-bromo-2,4-dimethoxyphenyl)-1,3-bis(phenylmethyl)imidazolidine-1,3-diium IUPAC Name: 1,3-dibenzyl-2-(5-bromo-2,4-dimethoxyphenyl)imidazolidine-1,3-diium Traditional Name: 1,3-dibenzyl-2-(5-bromo-2,4-dimethoxy-phenyl)imidazolidine-1,3-diium Formula: C25H29BrN2O2+2 MolecularWeight: 469.41396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2[NH+](CC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2[NH+](CC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4)Br)OC

InChI

InChI=1S/C25H27BrN2O2/c1-29-23-16-24(30-2)22(26)15-21(23)25-27(17-19-9-5-3-6-10-19)13-14-28(25)18-20-11-7-4-8-12-20/h3-12,15-16,25H,13-14,17-18H2,1-2H3/p+2