[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: (2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-[(4S)-thiochroman-4-yl]ammonium CAS Name: [(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(4S)-3,4-dihydro-2H-thiochromen-4-yl]-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: (2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-[(4S)-thiochroman-4-yl]ammonium Formula: C18H30N2S+2 MolecularWeight: 306.5092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH2+]C2CCSC3=CC=CC=C23)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH2+][C@H]2CCSC3=CC=CC=C23)C

InChI

InChI=1S/C18H28N2S/c1-17(2)11-13(12-18(3,4)20-17)19-15-9-10-21-16-8-6-5-7-14(15)16/h5-8,13,15,19-20H,9-12H2,1-4H3/p+2/t15-/m0/s1