(2S)-2-[4-(2-sulfoethyl)pyridin-1-ium-1-yl]hexanoic acid

Systemtic Name: (2S)-2-[4-(2-sulfoethyl)pyridin-1-ium-1-yl]hexanoic acid Openeye Name: (2S)-2-[4-(2-sulfoethyl)pyridin-1-ium-1-yl]hexanoic acid CAS Name: (2S)-2-[4-(2-sulfoethyl)-1-pyridin-1-iumyl]hexanoic acid IUPAC Name: (2S)-2-[4-(2-sulfoethyl)pyridin-1-ium-1-yl]hexanoic acid Traditional Name: (2S)-2-[4-(2-sulfoethyl)pyridin-1-ium-1-yl]hexanoic acid Formula: C13H20NO5S+ MolecularWeight: 302.3666

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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