2-[(3-butoxyphenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(3-butoxyphenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(3-butoxyphenyl)methylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(3-butoxyphenyl)methylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(3-butoxyphenyl)methylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-(3-butoxybenzyl)sulfonyl-1-oxido-pyridin-1-ium Formula: C16H19NO4S MolecularWeight: 321.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)CS(=O)(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C16H19NO4S/c1-2-3-11-21-15-8-6-7-14(12-15)13-22(19,20)16-9-4-5-10-17(16)18/h4-10,12H,2-3,11,13H2,1H3