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

Systemtic Name: 2-[4-(2-sulfoethyl)pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-(2-sulfoethyl)pyridin-1-ium-1-yl]acetic acid CAS Name: 2-[4-(2-sulfoethyl)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[4-(2-sulfoethyl)pyridin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-(2-sulfoethyl)pyridin-1-ium-1-yl]acetic acid Formula: C9H12NO5S+ MolecularWeight: 246.26028

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1CCS(=O)(=O)O)CC(=O)O

Isomeric SMILES

C1=C[N+](=CC=C1CCS(=O)(=O)O)CC(=O)O

InChI

InChI=1S/C9H11NO5S/c11-9(12)7-10-4-1-8(2-5-10)3-6-16(13,14)15/h1-2,4-5H,3,6-7H2,(H-,11,12,13,14,15)/p+1