2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium bromide

Systemtic Name: 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium bromide Openeye Name: 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium bromide CAS Name: 2-(ethylthio)-1,4,5,6-tetrahydropyrimidin-3-ium bromide IUPAC Name: 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium bromide Traditional Name: 2-(ethylthio)-1,4,5,6-tetrahydropyrimidin-3-ium bromide Formula: C6H13BrN2S MolecularWeight: 225.14982

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[NH+]CCCN1.[Br-]

Isomeric SMILES

CCSC1=[NH+]CCCN1.[Br-]

InChI

InChI=1S/C6H12N2S.BrH/c1-2-9-6-7-4-3-5-8-6;/h2-5H2,1H3,(H,7,8);1H