2-methoxy-5-[2-(2-methylsulfonylphenyl)ethynyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-methoxy-5-[2-(2-methylsulfonylphenyl)ethynyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-methoxy-5-[2-(2-methylsulfonylphenyl)ethynyl]-1-oxido-pyridin-1-ium CAS Name: 2-methoxy-5-[2-(2-methylsulfonylphenyl)ethynyl]-1-oxidopyridin-1-ium IUPAC Name: 2-methoxy-5-[2-(2-methylsulfonylphenyl)ethynyl]-1-oxidopyridin-1-ium Traditional Name: 5-[2-(2-mesylphenyl)ethynyl]-2-methoxy-1-oxido-pyridin-1-ium Formula: C15H13NO4S MolecularWeight: 303.33302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=[N+](C=C(C=C1)C#CC2=CC=CC=C2S(=O)(=O)C)[O-]

Isomeric SMILES

COC1=[N+](C=C(C=C1)C#CC2=CC=CC=C2S(=O)(=O)C)[O-]

InChI

InChI=1S/C15H13NO4S/c1-20-15-10-8-12(11-16(15)17)7-9-13-5-3-4-6-14(13)21(2,18)19/h3-6,8,10-11H,1-2H3