[1-phenyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-yl]methanol bromide

Systemtic Name: [1-phenyl-2-(phenylmethylsulfanyl)pyridin-1-ium-3-yl]methanol bromide Openeye Name: (2-benzylsulfanyl-1-phenyl-pyridin-1-ium-3-yl)methanol bromide CAS Name: [1-phenyl-2-(phenylmethylthio)-3-pyridin-1-iumyl]methanol bromide IUPAC Name: (2-benzylsulfanyl-1-phenylpyridin-1-ium-3-yl)methanol bromide Traditional Name: [2-(benzylthio)-1-phenyl-pyridin-1-ium-3-yl]methanol bromide Formula: C19H18BrNOS MolecularWeight: 388.32132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CC=[N+]2C3=CC=CC=C3)CO.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CC=[N+]2C3=CC=CC=C3)CO.[Br-]

InChI

InChI=1S/C19H18NOS.BrH/c21-14-17-10-7-13-20(18-11-5-2-6-12-18)19(17)22-15-16-8-3-1-4-9-16;/h1-13,21H,14-15H2;1H/q+1;/p-1