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

Systemtic Name: 3-[(S)-(4-methylphenyl)sulfinyl]-1-(phenylmethyl)pyridin-1-ium bromide Openeye Name: 1-benzyl-3-[(S)-p-tolylsulfinyl]pyridin-1-ium bromide CAS Name: 3-[(S)-(4-methylphenyl)sulfinyl]-1-(phenylmethyl)pyridin-1-ium bromide IUPAC Name: 1-benzyl-3-[(S)-(4-methylphenyl)sulfinyl]pyridin-1-ium bromide Traditional Name: 1-benzyl-3-[(S)-p-tolylsulfinyl]pyridin-1-ium bromide Formula: C19H18BrNOS MolecularWeight: 388.32132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)[S@](=O)C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H18NOS.BrH/c1-16-9-11-18(12-10-16)22(21)19-8-5-13-20(15-19)14-17-6-3-2-4-7-17;/h2-13,15H,14H2,1H3;1H/q+1;/p-1/t22-;/m0./s1