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

Systemtic Name: 1-[(1S,2S)-2-bromanylcycloheptyl]pyridin-1-ium Openeye Name: 1-[(1S,2S)-2-bromocycloheptyl]pyridin-1-ium CAS Name: 1-[(1S,2S)-2-bromocycloheptyl]pyridin-1-ium IUPAC Name: 1-[(1S,2S)-2-bromocycloheptyl]pyridin-1-ium Traditional Name: 1-[(1S,2S)-2-bromocycloheptyl]pyridin-1-ium Formula: C12H17BrN+ MolecularWeight: 255.17408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN/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/q+1/t11-,12-/m0/s1