2-[1-(2,5-dimethylphenyl)propylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[1-(2,5-dimethylphenyl)propylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-(2,5-dimethylphenyl)propylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[1-(2,5-dimethylphenyl)propylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[1-(2,5-dimethylphenyl)propylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-[1-(2,5-dimethylphenyl)propylsulfonyl]-1-oxido-pyridin-1-ium Formula: C16H19NO3S MolecularWeight: 305.39196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)C)C)S(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCC(C1=C(C=CC(=C1)C)C)S(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H19NO3S/c1-4-15(14-11-12(2)8-9-13(14)3)21(19,20)16-7-5-6-10-17(16)18/h5-11,15H,4H2,1-3H3