methyl 3-pyridin-1-ium-1-ylpropane-1-sulfonate

Systemtic Name: methyl 3-pyridin-1-ium-1-ylpropane-1-sulfonate Openeye Name: methyl 3-pyridin-1-ium-1-ylpropane-1-sulfonate CAS Name: 3-(1-pyridin-1-iumyl)-1-propanesulfonic acid IUPAC Name: methyl 3-pyridin-1-ium-1-ylpropane-1-sulfonate Traditional Name: 3-pyridin-1-ium-1-ylpropane-1-sulfonic acid methyl ester Formula: C9H14NO3S+ MolecularWeight: 216.27736

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCC[N+]1=CC=CC=C1

Isomeric SMILES

COS(=O)(=O)CCC[N+]1=CC=CC=C1

InChI

InChI=1S/C9H14NO3S/c1-13-14(11,12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3/q+1