2,6-dimethyl-1-(phenylmethyl)-4-(phenylmethylsulfanyl)pyridin-1-ium iodide

Systemtic Name: 2,6-dimethyl-1-(phenylmethyl)-4-(phenylmethylsulfanyl)pyridin-1-ium iodide Openeye Name: 1-benzyl-4-benzylsulfanyl-2,6-dimethyl-pyridin-1-ium iodide CAS Name: 2,6-dimethyl-1-(phenylmethyl)-4-(phenylmethylthio)pyridin-1-ium iodide IUPAC Name: 1-benzyl-4-benzylsulfanyl-2,6-dimethylpyridin-1-ium iodide Traditional Name: 1-benzyl-4-(benzylthio)-2,6-dimethyl-pyridin-1-ium iodide Formula: C21H22INS MolecularWeight: 447.37555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC2=CC=CC=C2)C)SCC3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC2=CC=CC=C2)C)SCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C21H22NS.HI/c1-17-13-21(23-16-20-11-7-4-8-12-20)14-18(2)22(17)15-19-9-5-3-6-10-19;/h3-14H,15-16H2,1-2H3;1H/q+1;/p-1