3-[3-(2-iodanylethanoylamino)pyridin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[3-(2-iodanylethanoylamino)pyridin-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[3-[(2-iodoacetyl)amino]pyridin-1-ium-1-yl]propane-1-sulfonate CAS Name: 3-[3-[(2-iodo-1-oxoethyl)amino]-1-pyridin-1-iumyl]-1-propanesulfonate IUPAC Name: 3-[3-[(2-iodoacetyl)amino]pyridin-1-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[3-[(2-iodoacetyl)amino]pyridin-1-ium-1-yl]propane-1-sulfonate Formula: C10H13IN2O4S MolecularWeight: 384.19069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])NC(=O)CI

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCS(=O)(=O)[O-])NC(=O)CI

InChI

InChI=1S/C10H13IN2O4S/c11-7-10(14)12-9-3-1-4-13(8-9)5-2-6-18(15,16)17/h1,3-4,8H,2,5-7H2,(H-,12,14,15,16,17)