spiro[3,4-dihydroisothiochromene-1,4'-piperidin-1-ium] chloride

Systemtic Name: spiro[3,4-dihydroisothiochromene-1,4'-piperidin-1-ium] chloride Openeye Name: spiro[isothiochromane-1,4'-piperidin-1-ium] chloride CAS Name: spiro[3,4-dihydro-2-benzothiopyran-1,4'-piperidin-1-ium] chloride IUPAC Name: spiro[3,4-dihydroisothiochromene-1,4'-piperidin-1-ium] chloride Traditional Name: spiro[isothiochroman-1,4'-piperidin-1-ium] chloride Formula: C13H18ClNS MolecularWeight: 255.80672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2(CC[NH2+]CC2)C3=CC=CC=C31.[Cl-]

Isomeric SMILES

C1CSC2(CC[NH2+]CC2)C3=CC=CC=C31.[Cl-]

InChI

InChI=1S/C13H17NS.ClH/c1-2-4-12-11(3-1)5-10-15-13(12)6-8-14-9-7-13;/h1-4,14H,5-10H2;1H