[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: [(4R)-3,4-dihydro-2H-thiochromen-4-yl]-[(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[(4R)-thiochroman-4-yl]ammonium CAS Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[(4R)-3,4-dihydro-2H-1-benzothiopyran-4-yl]ammonium IUPAC Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]azanium Traditional Name: [(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]-[(4R)-thiochroman-4-yl]ammonium Formula: C20H24NO3S+ MolecularWeight: 358.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(C[NH2+]C2CCSC3=CC=CC=C23)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC[C@@H](C[NH2+][C@@H]2CCSC3=CC=CC=C23)O

InChI

InChI=1S/C20H23NO3S/c1-14(22)15-6-8-17(9-7-15)24-13-16(23)12-21-19-10-11-25-20-5-3-2-4-18(19)20/h2-9,16,19,21,23H,10-13H2,1H3/p+1/t16-,19-/m1/s1