[1-(3-bromophenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-(3-bromophenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-(3-bromophenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-(3-bromophenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-(3-bromophenyl)-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-(3-bromophenyl)-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C14H18BrN2O2S+ MolecularWeight: 358.27392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)Br

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)Br

InChI

InChI=1S/C14H18BrN2O2S/c1-2-20(18,19)17(8-4-5-12(10-16)11-17)14-7-3-6-13(15)9-14/h3-7,9,11H,2,8,10,16H2,1H3/q+1