(2S)-2-[4-(2-sulfonatoethyl)pyridin-1-ium-1-yl]hexanoate

Systemtic Name: (2S)-2-[4-(2-sulfonatoethyl)pyridin-1-ium-1-yl]hexanoate Openeye Name: (2S)-2-[4-(2-sulfonatoethyl)pyridin-1-ium-1-yl]hexanoate CAS Name: (2S)-2-[4-(2-sulfonatoethyl)-1-pyridin-1-iumyl]hexanoate IUPAC Name: (2S)-2-[4-(2-sulfonatoethyl)pyridin-1-ium-1-yl]hexanoate Traditional Name: (2S)-2-[4-(2-sulfonatoethyl)pyridin-1-ium-1-yl]hexanoate Formula: C13H18NO5S- MolecularWeight: 300.35072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])[N+]1=CC=C(C=C1)CCS(=O)(=O)[O-]

Isomeric SMILES

CCCC[C@@H](C(=O)[O-])[N+]1=CC=C(C=C1)CCS(=O)(=O)[O-]

InChI

InChI=1S/C13H19NO5S/c1-2-3-4-12(13(15)16)14-8-5-11(6-9-14)7-10-20(17,18)19/h5-6,8-9,12H,2-4,7,10H2,1H3,(H-,15,16,17,18,19)/p-1/t12-/m0/s1