1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfinyl-pyridin-1-ium bromide

Systemtic Name: 1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfinyl-pyridin-1-ium bromide Openeye Name: 1-(p-tolylmethyl)-3-(p-tolylsulfinyl)pyridin-1-ium bromide CAS Name: 1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfinylpyridin-1-ium bromide IUPAC Name: 1-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfinylpyridin-1-ium bromide Traditional Name: 1-(4-methylbenzyl)-3-(p-tolylsulfinyl)pyridin-1-ium bromide Formula: C20H20BrNOS MolecularWeight: 402.3479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)S(=O)C3=CC=C(C=C3)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)S(=O)C3=CC=C(C=C3)C.[Br-]

InChI

InChI=1S/C20H20NOS.BrH/c1-16-5-9-18(10-6-16)14-21-13-3-4-20(15-21)23(22)19-11-7-17(2)8-12-19;/h3-13,15H,14H2,1-2H3;1H/q+1;/p-1