1-oxidanidyl-2-[(2,3,6-trimethylphenyl)methylsulfinyl]pyridin-1-ium

Systemtic Name: 1-oxidanidyl-2-[(2,3,6-trimethylphenyl)methylsulfinyl]pyridin-1-ium Openeye Name: 1-oxido-2-[(2,3,6-trimethylphenyl)methylsulfinyl]pyridin-1-ium CAS Name: 1-oxido-2-[(2,3,6-trimethylphenyl)methylsulfinyl]pyridin-1-ium IUPAC Name: 1-oxido-2-[(2,3,6-trimethylphenyl)methylsulfinyl]pyridin-1-ium Traditional Name: 1-oxido-2-(2,3,6-trimethylbenzyl)sulfinyl-pyridin-1-ium Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO2S/c1-11-7-8-12(2)14(13(11)3)10-19(18)15-6-4-5-9-16(15)17/h4-9H,10H2,1-3H3