4-methylsulfanyl-1-(phenylmethyl)quinolin-1-ium bromide

Systemtic Name: 4-methylsulfanyl-1-(phenylmethyl)quinolin-1-ium bromide Openeye Name: 1-benzyl-4-methylsulfanyl-quinolin-1-ium bromide CAS Name: 4-(methylthio)-1-(phenylmethyl)quinolin-1-ium bromide IUPAC Name: 1-benzyl-4-methylsulfanylquinolin-1-ium bromide Traditional Name: 1-benzyl-4-(methylthio)quinolin-1-ium bromide Formula: C17H16BrNS MolecularWeight: 346.28464

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CSC1=CC=[N+](C2=CC=CC=C21)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H16NS.BrH/c1-19-17-11-12-18(13-14-7-3-2-4-8-14)16-10-6-5-9-15(16)17;/h2-12H,13H2,1H3;1H/q+1;/p-1