2,6-bis[[(R)-(4-methylphenyl)sulfinyl]methyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2,6-bis[[(R)-(4-methylphenyl)sulfinyl]methyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 1-oxido-2,6-bis[[(R)-p-tolylsulfinyl]methyl]pyridin-1-ium CAS Name: 2,6-bis[[(R)-(4-methylphenyl)sulfinyl]methyl]-1-oxidopyridin-1-ium IUPAC Name: 2,6-bis[[(R)-(4-methylphenyl)sulfinyl]methyl]-1-oxidopyridin-1-ium Traditional Name: 1-oxido-2,6-bis[[(R)-p-tolylsulfinyl]methyl]pyridin-1-ium Formula: C21H21NO3S2 MolecularWeight: 399.52634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC2=[N+](C(=CC=C2)CS(=O)C3=CC=C(C=C3)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)CC2=[N+](C(=CC=C2)C[S@@](=O)C3=CC=C(C=C3)C)[O-]

InChI

InChI=1S/C21H21NO3S2/c1-16-6-10-20(11-7-16)26(24)14-18-4-3-5-19(22(18)23)15-27(25)21-12-8-17(2)9-13-21/h3-13H,14-15H2,1-2H3/t26-,27-/m1/s1