S-[(1-methylpiperidin-1-ium-1-yl)methyl] benzenecarbothioate iodide

Systemtic Name: S-[(1-methylpiperidin-1-ium-1-yl)methyl] benzenecarbothioate iodide Openeye Name: S-[(1-methylpiperidin-1-ium-1-yl)methyl] benzenecarbothioate iodide CAS Name: benzenecarbothioic acid S-[(1-methyl-1-piperidin-1-iumyl)methyl] ester iodide IUPAC Name: S-[(1-methylpiperidin-1-ium-1-yl)methyl] benzenecarbothioate iodide Traditional Name: thiobenzoic acid S-[(1-methylpiperidin-1-ium-1-yl)methyl] ester iodide Formula: C14H20INOS MolecularWeight: 377.28417

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CSC(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CSC(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C14H20NOS.HI/c1-15(10-6-3-7-11-15)12-17-14(16)13-8-4-2-5-9-13;/h2,4-5,8-9H,3,6-7,10-12H2,1H3;1H/q+1;/p-1