1-[2-(3,4-dimethoxycyclohexyl)sulfanylpyridin-1-ium-1-yl]propan-2-one iodide

Systemtic Name: 1-[2-(3,4-dimethoxycyclohexyl)sulfanylpyridin-1-ium-1-yl]propan-2-one iodide Openeye Name: 1-[2-(3,4-dimethoxycyclohexyl)sulfanylpyridin-1-ium-1-yl]propan-2-one iodide CAS Name: 1-[2-[(3,4-dimethoxycyclohexyl)thio]-1-pyridin-1-iumyl]-2-propanone iodide IUPAC Name: 1-[2-(3,4-dimethoxycyclohexyl)sulfanylpyridin-1-ium-1-yl]propan-2-one iodide Traditional Name: 1-[2-[(3,4-dimethoxycyclohexyl)thio]pyridin-1-ium-1-yl]acetone iodide Formula: C16H24INO3S MolecularWeight: 437.33613

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC=CC=C1SC2CCC(C(C2)OC)OC.[I-]

Isomeric SMILES

CC(=O)C[N+]1=CC=CC=C1SC2CCC(C(C2)OC)OC.[I-]

InChI

InChI=1S/C16H24NO3S.HI/c1-12(18)11-17-9-5-4-6-16(17)21-13-7-8-14(19-2)15(10-13)20-3;/h4-6,9,13-15H,7-8,10-11H2,1-3H3;1H/q+1;/p-1