1-[4-(2-chloranylphenoxy)phenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride

Systemtic Name: 1-[4-(2-chloranylphenoxy)phenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride Openeye Name: 1-[4-(2-chlorophenoxy)phenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride CAS Name: 1-[4-(2-chlorophenoxy)phenoxy]-3-(4-phenyl-1-pyridin-1-iumyl)-2-propanol chloride IUPAC Name: 1-[4-(2-chlorophenoxy)phenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride Traditional Name: 1-[4-(2-chlorophenoxy)phenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol chloride Formula: C26H23Cl2NO3 MolecularWeight: 468.37172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)OC4=CC=CC=C4Cl)O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)OC4=CC=CC=C4Cl)O.[Cl-]

InChI

InChI=1S/C26H23ClNO3.ClH/c27-25-8-4-5-9-26(25)31-24-12-10-23(11-13-24)30-19-22(29)18-28-16-14-21(15-17-28)20-6-2-1-3-7-20;/h1-17,22,29H,18-19H2;1H/q+1;/p-1