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

Systemtic Name: 2-[1-(2,5-dimethylphenyl)-3-methyl-butyl]sulfonyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-(2,5-dimethylphenyl)-3-methyl-butyl]sulfonyl-1-oxido-pyridin-1-ium CAS Name: 2-[1-(2,5-dimethylphenyl)-3-methylbutyl]sulfonyl-1-oxidopyridin-1-ium IUPAC Name: 2-[1-(2,5-dimethylphenyl)-3-methylbutyl]sulfonyl-1-oxidopyridin-1-ium Traditional Name: 2-[1-(2,5-dimethylphenyl)-3-methyl-butyl]sulfonyl-1-oxido-pyridin-1-ium Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3S/c1-13(2)11-17(16-12-14(3)8-9-15(16)4)23(21,22)18-7-5-6-10-19(18)20/h5-10,12-13,17H,11H2,1-4H3