2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonate

Systemtic Name: 2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonate Openeye Name: 2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonate CAS Name: 2-[1-(2-bromoethyl)-2-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonate Traditional Name: 2-[1-(2-bromoethyl)pyridin-1-ium-2-yl]ethanesulfonate Formula: C9H12BrNO3S MolecularWeight: 294.16548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12BrNO3S/c10-5-7-11-6-2-1-3-9(11)4-8-15(12,13)14/h1-3,6H,4-5,7-8H2