2-[1-(2,5-dimethylphenyl)but-3-enylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[1-(2,5-dimethylphenyl)but-3-enylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-(2,5-dimethylphenyl)but-3-enylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 2-[1-(2,5-dimethylphenyl)but-3-enylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[1-(2,5-dimethylphenyl)but-3-enylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 2-[1-(2,5-dimethylphenyl)but-3-enylsulfonyl]-1-oxido-pyridin-1-ium Formula: C17H19NO3S MolecularWeight: 317.40266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3S/c1-4-7-16(15-12-13(2)9-10-14(15)3)22(20,21)17-8-5-6-11-18(17)19/h4-6,8-12,16H,1,7H2,2-3H3