1-[4-(4-chlorophenyl)sulfanylphenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol

Systemtic Name: 1-[4-(4-chlorophenyl)sulfanylphenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol Openeye Name: 1-[4-(4-chlorophenyl)sulfanylphenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol CAS Name: 1-[4-[(4-chlorophenyl)thio]phenoxy]-3-(4-phenyl-1-pyridin-1-iumyl)-2-propanol IUPAC Name: 1-[4-(4-chlorophenyl)sulfanylphenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol Traditional Name: 1-[4-[(4-chlorophenyl)thio]phenoxy]-3-(4-phenylpyridin-1-ium-1-yl)propan-2-ol Formula: C26H23ClNO2S+ MolecularWeight: 448.98432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)SC4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)SC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C26H23ClNO2S/c27-22-6-10-25(11-7-22)31-26-12-8-24(9-13-26)30-19-23(29)18-28-16-14-21(15-17-28)20-4-2-1-3-5-20/h1-17,23,29H,18-19H2/q+1