1-[(2S)-2-bromanylcycloheptyl]pyridin-1-ium bromide

Systemtic Name: 1-[(2S)-2-bromanylcycloheptyl]pyridin-1-ium bromide Openeye Name: 1-[(2S)-2-bromocycloheptyl]pyridin-1-ium bromide CAS Name: 1-[(2S)-2-bromocycloheptyl]pyridin-1-ium bromide IUPAC Name: 1-[(2S)-2-bromocycloheptyl]pyridin-1-ium bromide Traditional Name: 1-[(2S)-2-bromocycloheptyl]pyridin-1-ium bromide Formula: C12H17Br2N MolecularWeight: 335.07808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)Br)[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

C1CC[C@@H](C(CC1)[N+]2=CC=CC=C2)Br.[Br-]

InChI

InChI=1S/C12H17BrN.BrH/c13-11-7-3-1-4-8-12(11)14-9-5-2-6-10-14;/h2,5-6,9-12H,1,3-4,7-8H2;1H/q+1;/p-1/t11-,12?;/m0./s1