1-methyl-2-(2-phenylpropylsulfanyl)pyridin-1-ium bromide

Systemtic Name: 1-methyl-2-(2-phenylpropylsulfanyl)pyridin-1-ium bromide Openeye Name: 1-methyl-2-(2-phenylpropylsulfanyl)pyridin-1-ium bromide CAS Name: 1-methyl-2-(2-phenylpropylthio)pyridin-1-ium bromide IUPAC Name: 1-methyl-2-(2-phenylpropylsulfanyl)pyridin-1-ium bromide Traditional Name: 1-methyl-2-(2-phenylpropylthio)pyridin-1-ium bromide Formula: C15H18BrNS MolecularWeight: 324.27912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=[N+]1C)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CC(CSC1=CC=CC=[N+]1C)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H18NS.BrH/c1-13(14-8-4-3-5-9-14)12-17-15-10-6-7-11-16(15)2;/h3-11,13H,12H2,1-2H3;1H/q+1;/p-1