1-methoxy-4-methyl-pyridin-1-ium; octane-1-sulfonate

Systemtic Name: 1-methoxy-4-methyl-pyridin-1-ium; octane-1-sulfonate Openeye Name: 1-methoxy-4-methyl-pyridin-1-ium; octane-1-sulfonate CAS Name: 1-methoxy-4-methylpyridin-1-ium; 1-octanesulfonate IUPAC Name: 1-methoxy-4-methylpyridin-1-ium; octane-1-sulfonate Traditional Name: 1-methoxy-4-methyl-pyridin-1-ium; octane-1-sulfonate Formula: C15H27NO4S MolecularWeight: 317.44418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)[O-].CC1=CC=[N+](C=C1)OC

Isomeric SMILES

CCCCCCCCS(=O)(=O)[O-].CC1=CC=[N+](C=C1)OC

InChI

InChI=1S/C8H18O3S.C7H10NO/c1-2-3-4-5-6-7-8-12(9,10)11;1-7-3-5-8(9-2)6-4-7/h2-8H2,1H3,(H,9,10,11);3-6H,1-2H3/q;+1/p-1