2-[chloranyl-(2,5-dimethylphenyl)methyl]sulfonyl-3-methyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[chloranyl-(2,5-dimethylphenyl)methyl]sulfonyl-3-methyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[chloro-(2,5-dimethylphenyl)methyl]sulfonyl-3-methyl-1-oxido-pyridin-1-ium CAS Name: 2-[chloro-(2,5-dimethylphenyl)methyl]sulfonyl-3-methyl-1-oxidopyridin-1-ium IUPAC Name: 2-[chloro-(2,5-dimethylphenyl)methyl]sulfonyl-3-methyl-1-oxidopyridin-1-ium Traditional Name: 2-[chloro-(2,5-dimethylphenyl)methyl]sulfonyl-3-methyl-1-oxido-pyridin-1-ium Formula: C15H16ClNO3S MolecularWeight: 325.81044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO3S/c1-10-6-7-11(2)13(9-10)14(16)21(19,20)15-12(3)5-4-8-17(15)18/h4-9,14H,1-3H3