2-(2,6-dimethoxyphenoxy)ethyl-[[(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrothiochromen-3-yl]methyl]azanium

Systemtic Name: 2-(2,6-dimethoxyphenoxy)ethyl-[[(2R,3R)-4-oxidanylidene-2-phenyl-2,3-dihydrothiochromen-3-yl]methyl]azanium Openeye Name: 2-(2,6-dimethoxyphenoxy)ethyl-[[(2R,3R)-4-oxo-2-phenyl-thiochroman-3-yl]methyl]ammonium CAS Name: 2-(2,6-dimethoxyphenoxy)ethyl-[[(2R,3R)-4-oxo-2-phenyl-2,3-dihydro-1-benzothiopyran-3-yl]methyl]ammonium IUPAC Name: 2-(2,6-dimethoxyphenoxy)ethyl-[[(2R,3R)-4-oxo-2-phenyl-2,3-dihydrothiochromen-3-yl]methyl]azanium Traditional Name: 2-(2,6-dimethoxyphenoxy)ethyl-[[(2R,3R)-4-keto-2-phenyl-thiochroman-3-yl]methyl]ammonium Formula: C26H28NO4S+ MolecularWeight: 450.56982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OCC[NH2+]CC2C(SC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OCC[NH2+]C[C@H]2[C@@H](SC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27NO4S/c1-29-21-12-8-13-22(30-2)25(21)31-16-15-27-17-20-24(28)19-11-6-7-14-23(19)32-26(20)18-9-4-3-5-10-18/h3-14,20,26-27H,15-17H2,1-2H3/p+1/t20-,26+/m1/s1