3-(4-methylpyridin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(4-methylpyridin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(4-methylpyridin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(4-methyl-1-pyridin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(4-methylpyridin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(4-methylpyridin-1-ium-1-yl)propane-1-sulfonate Formula: C9H13NO3S MolecularWeight: 215.26942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C9H13NO3S/c1-9-3-6-10(7-4-9)5-2-8-14(11,12)13/h3-4,6-7H,2,5,8H2,1H3