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

Systemtic Name: 1-methyl-2-[phenyl(phenylmethoxy)methyl]sulfanyl-pyridin-1-ium Openeye Name: 2-[benzyloxy(phenyl)methyl]sulfanyl-1-methyl-pyridin-1-ium CAS Name: 1-methyl-2-[[phenyl(phenylmethoxy)methyl]thio]pyridin-1-ium IUPAC Name: 1-methyl-2-[phenyl(phenylmethoxy)methyl]sulfanylpyridin-1-ium Traditional Name: 2-[[benzoxy(phenyl)methyl]thio]-1-methyl-pyridin-1-ium Formula: C20H20NOS+ MolecularWeight: 322.4439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20NOS/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/q+1