[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(3,5-dimethoxyphenyl)methyl]azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(3,5-dimethoxyphenyl)methyl]azanium Openeye Name: (3,5-dimethoxyphenyl)methyl-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-[(3,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-[(3,5-dimethoxyphenyl)methyl]azanium Traditional Name: (3,5-dimethoxybenzyl)-[(4S)-thiochroman-4-yl]ammonium Formula: C18H22NO2S+ MolecularWeight: 316.43778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH2+]C2CCSC3=CC=CC=C23)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH2+][C@H]2CCSC3=CC=CC=C23)OC

InChI

InChI=1S/C18H21NO2S/c1-20-14-9-13(10-15(11-14)21-2)12-19-17-7-8-22-18-6-4-3-5-16(17)18/h3-6,9-11,17,19H,7-8,12H2,1-2H3/p+1/t17-/m0/s1