methyl 4-[1,3-bis(phenylmethyl)imidazolidine-1,3-diium-2-yl]benzoate

Systemtic Name: methyl 4-[1,3-bis(phenylmethyl)imidazolidine-1,3-diium-2-yl]benzoate Openeye Name: methyl 4-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)benzoate CAS Name: 4-[1,3-bis(phenylmethyl)-2-imidazolidine-1,3-diiumyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)benzoate Traditional Name: 4-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)benzoic acid methyl ester Formula: C25H28N2O2+2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2[NH+](CC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2[NH+](CC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2/c1-29-25(28)23-14-12-22(13-15-23)24-26(18-20-8-4-2-5-9-20)16-17-27(24)19-21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3/p+2