2-[1-(2,5-dimethylphenyl)-2-(oxiran-2-yl)ethyl]sulfonyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[1-(2,5-dimethylphenyl)-2-(oxiran-2-yl)ethyl]sulfonyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[1-(2,5-dimethylphenyl)-2-(oxiran-2-yl)ethyl]sulfonyl-1-oxido-pyridin-1-ium CAS Name: 2-[1-(2,5-dimethylphenyl)-2-(2-oxiranyl)ethyl]sulfonyl-1-oxidopyridin-1-ium IUPAC Name: 2-[1-(2,5-dimethylphenyl)-2-(oxiran-2-yl)ethyl]sulfonyl-1-oxidopyridin-1-ium Traditional Name: 2-[1-(2,5-dimethylphenyl)-2-(oxiran-2-yl)ethyl]sulfonyl-1-oxido-pyridin-1-ium Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CC2CO2)S(=O)(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(CC2CO2)S(=O)(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H19NO4S/c1-12-6-7-13(2)15(9-12)16(10-14-11-22-14)23(20,21)17-5-3-4-8-18(17)19/h3-9,14,16H,10-11H2,1-2H3