2-(1-adamantylsulfanyl)-1-methyl-pyridin-1-ium iodide

Systemtic Name: 2-(1-adamantylsulfanyl)-1-methyl-pyridin-1-ium iodide Openeye Name: 2-(1-adamantylsulfanyl)-1-methyl-pyridin-1-ium iodide CAS Name: 2-(1-adamantylthio)-1-methylpyridin-1-ium iodide IUPAC Name: 2-(1-adamantylsulfanyl)-1-methylpyridin-1-ium iodide Traditional Name: 2-(1-adamantylthio)-1-methyl-pyridin-1-ium iodide Formula: C16H22INS MolecularWeight: 387.32205

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SC23CC4CC(C2)CC(C4)C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1SC23CC4CC(C2)CC(C4)C3.[I-]

InChI

InChI=1S/C16H22NS.HI/c1-17-5-3-2-4-15(17)18-16-9-12-6-13(10-16)8-14(7-12)11-16;/h2-5,12-14H,6-11H2,1H3;1H/q+1;/p-1