S-[(1-methyl-4-phenylmethoxy-pyridin-1-ium-2-yl)methyl] ethanethioate iodide

Systemtic Name: S-[(1-methyl-4-phenylmethoxy-pyridin-1-ium-2-yl)methyl] ethanethioate iodide Openeye Name: S-[(4-benzyloxy-1-methyl-pyridin-1-ium-2-yl)methyl] ethanethioate iodide CAS Name: ethanethioic acid S-[(1-methyl-4-phenylmethoxy-2-pyridin-1-iumyl)methyl] ester iodide IUPAC Name: S-[(1-methyl-4-phenylmethoxypyridin-1-ium-2-yl)methyl] ethanethioate iodide Traditional Name: ethanethioic acid S-[(4-benzoxy-1-methyl-pyridin-1-ium-2-yl)methyl] ester iodide Formula: C16H18INO2S MolecularWeight: 415.28909

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=[N+](C=CC(=C1)OCC2=CC=CC=C2)C.[I-]

Isomeric SMILES

CC(=O)SCC1=[N+](C=CC(=C1)OCC2=CC=CC=C2)C.[I-]

InChI

InChI=1S/C16H18NO2S.HI/c1-13(18)20-12-15-10-16(8-9-17(15)2)19-11-14-6-4-3-5-7-14;/h3-10H,11-12H2,1-2H3;1H/q+1;/p-1