1-methoxy-2-methyl-pyridin-1-ium; pentane-1-sulfonate

Systemtic Name: 1-methoxy-2-methyl-pyridin-1-ium; pentane-1-sulfonate Openeye Name: 1-methoxy-2-methyl-pyridin-1-ium; pentane-1-sulfonate CAS Name: 1-methoxy-2-methylpyridin-1-ium; 1-pentanesulfonate IUPAC Name: 1-methoxy-2-methylpyridin-1-ium; pentane-1-sulfonate Traditional Name: 1-methoxy-2-methyl-pyridin-1-ium; pentane-1-sulfonate Formula: C12H21NO4S MolecularWeight: 275.36444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)[O-].CC1=CC=CC=[N+]1OC

Isomeric SMILES

CCCCCS(=O)(=O)[O-].CC1=CC=CC=[N+]1OC

InChI

InChI=1S/C7H10NO.C5H12O3S/c1-7-5-3-4-6-8(7)9-2;1-2-3-4-5-9(6,7)8/h3-6H,1-2H3;2-5H2,1H3,(H,6,7,8)/q+1;/p-1