1-[3-(2-ethenylphenyl)-2-methoxy-phenyl]thian-1-ium chloride

Systemtic Name: 1-[3-(2-ethenylphenyl)-2-methoxy-phenyl]thian-1-ium chloride Openeye Name: 1-[2-methoxy-3-(2-vinylphenyl)phenyl]tetrahydrothiopyran-1-ium chloride CAS Name: 1-[3-(2-ethenylphenyl)-2-methoxyphenyl]thian-1-ium chloride IUPAC Name: 1-[3-(2-ethenylphenyl)-2-methoxyphenyl]thian-1-ium chloride Traditional Name: 1-[2-methoxy-3-(2-vinylphenyl)phenyl]tetrahydrothiopyran-1-ium chloride Formula: C20H23ClOS MolecularWeight: 346.91402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1[S+]2CCCCC2)C3=CC=CC=C3C=C.[Cl-]

Isomeric SMILES

COC1=C(C=CC=C1[S+]2CCCCC2)C3=CC=CC=C3C=C.[Cl-]

InChI

InChI=1S/C20H23OS.ClH/c1-3-16-10-5-6-11-17(16)18-12-9-13-19(20(18)21-2)22-14-7-4-8-15-22;/h3,5-6,9-13H,1,4,7-8,14-15H2,2H3;1H/q+1;/p-1