[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-(thian-4-yl)azanium

Systemtic Name: [(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-(thian-4-yl)azanium Openeye Name: [(1R)-5-hydroxy-1,5-dimethyl-hexyl]-tetrahydrothiopyran-4-yl-ammonium CAS Name: [(2R)-6-hydroxy-6-methylheptan-2-yl]-(4-thianyl)ammonium IUPAC Name: [(2R)-6-hydroxy-6-methylheptan-2-yl]-(thian-4-yl)azanium Traditional Name: [(1R)-5-hydroxy-1,5-dimethyl-hexyl]-tetrahydrothiopyran-4-yl-ammonium Formula: C13H28NOS+ MolecularWeight: 246.43252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)[NH2+]C1CCSCC1

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[NH2+]C1CCSCC1

InChI

InChI=1S/C13H27NOS/c1-11(5-4-8-13(2,3)15)14-12-6-9-16-10-7-12/h11-12,14-15H,4-10H2,1-3H3/p+1/t11-/m1/s1