S-[2-[3-[(2-cyclohexylethylcarbamoylamino)methyl]-1-methyl-pyridin-1-ium-2-yl]ethyl] ethanethioate iodide

Systemtic Name: S-[2-[3-[(2-cyclohexylethylcarbamoylamino)methyl]-1-methyl-pyridin-1-ium-2-yl]ethyl] ethanethioate iodide Openeye Name: S-[2-[3-[(2-cyclohexylethylcarbamoylamino)methyl]-1-methyl-pyridin-1-ium-2-yl]ethyl] ethanethioate iodide CAS Name: ethanethioic acid S-[2-[3-[[[(2-cyclohexylethylamino)-oxomethyl]amino]methyl]-1-methyl-2-pyridin-1-iumyl]ethyl] ester iodide IUPAC Name: S-[2-[3-[(2-cyclohexylethylcarbamoylamino)methyl]-1-methylpyridin-1-ium-2-yl]ethyl] ethanethioate iodide Traditional Name: ethanethioic acid S-[2-[3-[(2-cyclohexylethylcarbamoylamino)methyl]-1-methyl-pyridin-1-ium-2-yl]ethyl] ester iodide Formula: C20H32IN3O2S MolecularWeight: 505.45645

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC1=C(C=CC=[N+]1C)CNC(=O)NCCC2CCCCC2.[I-]

Isomeric SMILES

CC(=O)SCCC1=C(C=CC=[N+]1C)CNC(=O)NCCC2CCCCC2.[I-]

InChI

InChI=1S/C20H31N3O2S.HI/c1-16(24)26-14-11-19-18(9-6-13-23(19)2)15-22-20(25)21-12-10-17-7-4-3-5-8-17;/h6,9,13,17H,3-5,7-8,10-12,14-15H2,1-2H3,(H-,21,22,25);1H