1-(4-heptadecyl-5-methyl-1,3-dithiol-2-ylidene)piperidin-1-ium iodide

Systemtic Name: 1-(4-heptadecyl-5-methyl-1,3-dithiol-2-ylidene)piperidin-1-ium iodide Openeye Name: 1-(4-heptadecyl-5-methyl-1,3-dithiol-2-ylidene)piperidin-1-ium iodide CAS Name: 1-(4-heptadecyl-5-methyl-1,3-dithiol-2-ylidene)piperidin-1-ium iodide IUPAC Name: 1-(4-heptadecyl-5-methyl-1,3-dithiol-2-ylidene)piperidin-1-ium iodide Traditional Name: 1-(4-heptadecyl-5-methyl-1,3-dithiol-2-ylidene)piperidin-1-ium iodide Formula: C26H48INS2 MolecularWeight: 565.70049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(SC(=[N+]2CCCCC2)S1)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(SC(=[N+]2CCCCC2)S1)C.[I-]

InChI

InChI=1S/C26H48NS2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-25-24(2)28-26(29-25)27-22-19-17-20-23-27;/h3-23H2,1-2H3;1H/q+1;/p-1