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

Systemtic Name: 5-chloranyl-2-[(2,5-dimethylphenyl)methylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 5-chloro-2-[(2,5-dimethylphenyl)methylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 5-chloro-2-[(2,5-dimethylphenyl)methylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 5-chloro-2-[(2,5-dimethylphenyl)methylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 5-chloro-2-(2,5-dimethylbenzyl)sulfonyl-1-oxido-pyridin-1-ium Formula: C14H14ClNO3S MolecularWeight: 311.78386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO3S/c1-10-3-4-11(2)12(7-10)9-20(18,19)14-6-5-13(15)8-16(14)17/h3-8H,9H2,1-2H3