2-[1-(3-oxidanylpropyl)pyridin-1-ium-2-yl]ethanesulfonate

Systemtic Name: 2-[1-(3-oxidanylpropyl)pyridin-1-ium-2-yl]ethanesulfonate Openeye Name: 2-[1-(3-hydroxypropyl)pyridin-1-ium-2-yl]ethanesulfonate CAS Name: 2-[1-(3-hydroxypropyl)-2-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(3-hydroxypropyl)pyridin-1-ium-2-yl]ethanesulfonate Traditional Name: 2-[1-(3-hydroxypropyl)pyridin-1-ium-2-yl]ethanesulfonate Formula: C10H15NO4S MolecularWeight: 245.2954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CCS(=O)(=O)[O-])CCCO

Isomeric SMILES

C1=CC=[N+](C(=C1)CCS(=O)(=O)[O-])CCCO

InChI

InChI=1S/C10H15NO4S/c12-8-3-7-11-6-2-1-4-10(11)5-9-16(13,14)15/h1-2,4,6,12H,3,5,7-9H2