[(2R)-3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]-(thian-4-yl)azanium

Systemtic Name: [(2R)-3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]-(thian-4-yl)azanium Openeye Name: [(2R)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-tetrahydrothiopyran-4-yl-ammonium CAS Name: [(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-(4-thianyl)ammonium IUPAC Name: [(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-(thian-4-yl)azanium Traditional Name: [(2R)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]-tetrahydrothiopyran-4-yl-ammonium Formula: C16H26NO2S+ MolecularWeight: 296.44814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH2+]C2CCSCC2)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@@H](C[NH2+]C2CCSCC2)O)C

InChI

InChI=1S/C16H25NO2S/c1-12-3-4-16(13(2)9-12)19-11-15(18)10-17-14-5-7-20-8-6-14/h3-4,9,14-15,17-18H,5-8,10-11H2,1-2H3/p+1/t15-/m1/s1