1-ethoxy-3-methyl-pyridin-1-ium; octane-1-sulfonate

Systemtic Name: 1-ethoxy-3-methyl-pyridin-1-ium; octane-1-sulfonate Openeye Name: 1-ethoxy-3-methyl-pyridin-1-ium; octane-1-sulfonate CAS Name: 1-ethoxy-3-methylpyridin-1-ium; 1-octanesulfonate IUPAC Name: 1-ethoxy-3-methylpyridin-1-ium; octane-1-sulfonate Traditional Name: 1-ethoxy-3-methyl-pyridin-1-ium; octane-1-sulfonate Formula: C16H29NO4S MolecularWeight: 331.47076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].CCO[N+]1=CC=CC(=C1)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].CCO[N+]1=CC=CC(=C1)C

InChI

InChI=1S/C8H12NO.C8H18O3S/c1-3-10-9-6-4-5-8(2)7-9;1-2-3-4-5-6-7-8-12(9,10)11/h4-7H,3H2,1-2H3;2-8H2,1H3,(H,9,10,11)/q+1;/p-1