5-octyl-2-piperidin-1-ium-1-ylidene-1,3-dithiole-4-thiol

Systemtic Name: 5-octyl-2-piperidin-1-ium-1-ylidene-1,3-dithiole-4-thiol Openeye Name: 5-octyl-2-piperidin-1-ium-1-ylidene-1,3-dithiole-4-thiol CAS Name: 5-octyl-2-(1-piperidin-1-iumylidene)-1,3-dithiole-4-thiol IUPAC Name: 5-octyl-2-piperidin-1-ium-1-ylidene-1,3-dithiole-4-thiol Traditional Name: 5-octyl-2-piperidin-1-ium-1-ylidene-1,3-dithiole-4-thiol Formula: C16H28NS3+ MolecularWeight: 330.59522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC(=[N+]2CCCCC2)S1)S

Isomeric SMILES

CCCCCCCCC1=C(SC(=[N+]2CCCCC2)S1)S

InChI

InChI=1S/C16H27NS3/c1-2-3-4-5-6-8-11-14-15(18)20-16(19-14)17-12-9-7-10-13-17/h2-13H2,1H3/p+1