1-ethyl-3-heptan-3-yl-2-methylsulfanyl-pyridin-1-ium

Systemtic Name: 1-ethyl-3-heptan-3-yl-2-methylsulfanyl-pyridin-1-ium Openeye Name: 1-ethyl-3-(1-ethylpentyl)-2-methylsulfanyl-pyridin-1-ium CAS Name: 1-ethyl-3-heptan-3-yl-2-(methylthio)pyridin-1-ium IUPAC Name: 1-ethyl-3-heptan-3-yl-2-methylsulfanylpyridin-1-ium Traditional Name: 1-ethyl-3-(1-ethylpentyl)-2-(methylthio)pyridin-1-ium Formula: C15H26NS+ MolecularWeight: 252.43864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C([N+](=CC=C1)CC)SC

Isomeric SMILES

CCCCC(CC)C1=C([N+](=CC=C1)CC)SC

InChI

InChI=1S/C15H26NS/c1-5-8-10-13(6-2)14-11-9-12-16(7-3)15(14)17-4/h9,11-13H,5-8,10H2,1-4H3/q+1