2-[1,3-bis(phenylmethyl)imidazolidine-1,3-diium-2-yl]-5-(diethylamino)phenol

Systemtic Name: 2-[1,3-bis(phenylmethyl)imidazolidine-1,3-diium-2-yl]-5-(diethylamino)phenol Openeye Name: 2-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)-5-(diethylamino)phenol CAS Name: 2-[1,3-bis(phenylmethyl)-2-imidazolidine-1,3-diiumyl]-5-(diethylamino)phenol IUPAC Name: 2-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)-5-(diethylamino)phenol Traditional Name: 2-(1,3-dibenzylimidazolidine-1,3-diium-2-yl)-5-(diethylamino)phenol Formula: C27H35N3O+2 MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O/c1-3-28(4-2)24-15-16-25(26(31)19-24)27-29(20-22-11-7-5-8-12-22)17-18-30(27)21-23-13-9-6-10-14-23/h5-16,19,27,31H,3-4,17-18,20-21H2,1-2H3/p+2