3-[3-(2-bromanylethanoylamino)pyridin-1-ium-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3-(2-bromanylethanoylamino)pyridin-1-ium-1-yl]propane-1-sulfonic acid Openeye Name: 3-[3-[(2-bromoacetyl)amino]pyridin-1-ium-1-yl]propane-1-sulfonic acid CAS Name: 3-[3-[(2-bromo-1-oxoethyl)amino]-1-pyridin-1-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[3-[(2-bromoacetyl)amino]pyridin-1-ium-1-yl]propane-1-sulfonic acid Traditional Name: 3-[3-[(2-bromoacetyl)amino]pyridin-1-ium-1-yl]propane-1-sulfonic acid Formula: C10H14BrN2O4S+ MolecularWeight: 338.19816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13BrN2O4S/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)/p+1