1,2-dimethyl-5-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridin-1-ium iodide

Systemtic Name: 1,2-dimethyl-5-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridin-1-ium iodide Openeye Name: 5-[2-(4-isopropylphenyl)sulfonylethyl]-1,2-dimethyl-pyridin-1-ium iodide CAS Name: 1,2-dimethyl-5-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridin-1-ium iodide IUPAC Name: 1,2-dimethyl-5-[2-(4-propan-2-ylphenyl)sulfonylethyl]pyridin-1-ium iodide Traditional Name: 1,2-dimethyl-5-(2-p-cumenylsulfonylethyl)pyridin-1-ium iodide Formula: C18H24INO2S MolecularWeight: 445.35813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)C(C)C)C.[I-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)C(C)C)C.[I-]

InChI

InChI=1S/C18H24NO2S.HI/c1-14(2)17-7-9-18(10-8-17)22(20,21)12-11-16-6-5-15(3)19(4)13-16;/h5-10,13-14H,11-12H2,1-4H3;1H/q+1;/p-1