[4-[1,3-bis(phenylmethyl)imidazolidine-1,3-diium-2-yl]-2-methoxy-phenyl] ethanoate

Systemtic Name: [4-[1,3-bis(phenylmethyl)imidazolidine-1,3-diium-2-yl]-2-methoxy-phenyl] ethanoate Openeye Name: [4-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)-2-methoxy-phenyl] acetate CAS Name: acetic acid [4-[1,3-bis(phenylmethyl)-2-imidazolidine-1,3-diiumyl]-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)-2-methoxyphenyl] acetate Traditional Name: acetic acid [4-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)-2-methoxy-phenyl] ester Formula: C26H30N2O3+2 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2[NH+](CC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2[NH+](CC[NH+]2CC3=CC=CC=C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H28N2O3/c1-20(29)31-24-14-13-23(17-25(24)30-2)26-27(18-21-9-5-3-6-10-21)15-16-28(26)19-22-11-7-4-8-12-22/h3-14,17,26H,15-16,18-19H2,1-2H3/p+2