(2S)-2-(5-bromanylthiophen-2-yl)azepan-1-ium

Systemtic Name: (2S)-2-(5-bromanylthiophen-2-yl)azepan-1-ium Openeye Name: (2S)-2-(5-bromo-2-thienyl)azepan-1-ium CAS Name: (2S)-2-(5-bromo-2-thiophenyl)azepan-1-ium IUPAC Name: (2S)-2-(5-bromothiophen-2-yl)azepan-1-ium Traditional Name: (2S)-2-(5-bromo-2-thienyl)azepan-1-ium Formula: C10H15BrNS+ MolecularWeight: 261.2018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC([NH2+]CC1)C2=CC=C(S2)Br

Isomeric SMILES

C1CC[C@H]([NH2+]CC1)C2=CC=C(S2)Br

InChI

InChI=1S/C10H14BrNS/c11-10-6-5-9(13-10)8-4-2-1-3-7-12-8/h5-6,8,12H,1-4,7H2/p+1/t8-/m0/s1