1-[2-(4-chlorophenyl)sulfanyl-4-phenyl-pyridin-1-ium-1-yl]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanyl-4-phenyl-pyridin-1-ium-1-yl]-3-phenoxy-propan-2-ol Openeye Name: 1-[2-(4-chlorophenyl)sulfanyl-4-phenyl-pyridin-1-ium-1-yl]-3-phenoxy-propan-2-ol CAS Name: 1-[2-[(4-chlorophenyl)thio]-4-phenyl-1-pyridin-1-iumyl]-3-phenoxy-2-propanol IUPAC Name: 1-[2-(4-chlorophenyl)sulfanyl-4-phenylpyridin-1-ium-1-yl]-3-phenoxypropan-2-ol Traditional Name: 1-[2-[(4-chlorophenyl)thio]-4-phenyl-pyridin-1-ium-1-yl]-3-phenoxy-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=CC=C3)O)SC4=CC=C(C=C4)Cl

Isomeric SMILES

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

InChI

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