1-methyl-2-[phenyl(phenylmethoxy)methyl]sulfanyl-pyridin-1-ium chloride

Systemtic Name: 1-methyl-2-[phenyl(phenylmethoxy)methyl]sulfanyl-pyridin-1-ium chloride Openeye Name: 2-[benzyloxy(phenyl)methyl]sulfanyl-1-methyl-pyridin-1-ium chloride CAS Name: 1-methyl-2-[[phenyl(phenylmethoxy)methyl]thio]pyridin-1-ium chloride IUPAC Name: 1-methyl-2-[phenyl(phenylmethoxy)methyl]sulfanylpyridin-1-ium chloride Traditional Name: 2-[[benzoxy(phenyl)methyl]thio]-1-methyl-pyridin-1-ium chloride Formula: C20H20ClNOS MolecularWeight: 357.8969

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SC(C2=CC=CC=C2)OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC=C1SC(C2=CC=CC=C2)OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H20NOS.ClH/c1-21-15-9-8-14-19(21)23-20(18-12-6-3-7-13-18)22-16-17-10-4-2-5-11-17;/h2-15,20H,16H2,1H3;1H/q+1;/p-1