1-[3-[4-(4-chloranylphenoxy)phenoxy]propyl]-4-phenyl-pyridin-1-ium bromide

Systemtic Name: 1-[3-[4-(4-chloranylphenoxy)phenoxy]propyl]-4-phenyl-pyridin-1-ium bromide Openeye Name: 1-[3-[4-(4-chlorophenoxy)phenoxy]propyl]-4-phenyl-pyridin-1-ium bromide CAS Name: 1-[3-[4-(4-chlorophenoxy)phenoxy]propyl]-4-phenylpyridin-1-ium bromide IUPAC Name: 1-[3-[4-(4-chlorophenoxy)phenoxy]propyl]-4-phenylpyridin-1-ium bromide Traditional Name: 1-[3-[4-(4-chlorophenoxy)phenoxy]propyl]-4-phenyl-pyridin-1-ium bromide Formula: C26H23BrClNO2 MolecularWeight: 496.82332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCOC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCOC3=CC=C(C=C3)OC4=CC=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C26H23ClNO2.BrH/c27-23-7-9-25(10-8-23)30-26-13-11-24(12-14-26)29-20-4-17-28-18-15-22(16-19-28)21-5-2-1-3-6-21;/h1-3,5-16,18-19H,4,17,20H2;1H/q+1;/p-1