1-but-3-en-2-yl-4-methylsulfanyl-pyridin-1-ium bromide

Systemtic Name: 1-but-3-en-2-yl-4-methylsulfanyl-pyridin-1-ium bromide Openeye Name: 1-(1-methylallyl)-4-methylsulfanyl-pyridin-1-ium bromide CAS Name: 1-but-3-en-2-yl-4-(methylthio)pyridin-1-ium bromide IUPAC Name: 1-but-3-en-2-yl-4-methylsulfanylpyridin-1-ium bromide Traditional Name: 1-(1-methylallyl)-4-(methylthio)pyridin-1-ium bromide Formula: C10H14BrNS MolecularWeight: 260.19386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)[N+]1=CC=C(C=C1)SC.[Br-]

Isomeric SMILES

CC(C=C)[N+]1=CC=C(C=C1)SC.[Br-]

InChI

InChI=1S/C10H14NS.BrH/c1-4-9(2)11-7-5-10(12-3)6-8-11;/h4-9H,1H2,2-3H3;1H/q+1;/p-1