2-[[4-(2,2-dimethylpropyl)phenyl]methylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[[4-(2,2-dimethylpropyl)phenyl]methylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[[4-(2,2-dimethylpropyl)phenyl]methylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[[4-(2,2-dimethylpropyl)phenyl]methylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[[4-(2,2-dimethylpropyl)phenyl]methylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-(4-neopentylbenzyl)sulfonyl-1-oxido-pyridin-1-ium Formula: C17H21NO3S MolecularWeight: 319.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C)(C)CC1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H21NO3S/c1-17(2,3)12-14-7-9-15(10-8-14)13-22(20,21)16-6-4-5-11-18(16)19/h4-11H,12-13H2,1-3H3