2-(2-thiophen-2-ylethyl)-3H-isoindol-2-ium-1-amine bromide

Systemtic Name: 2-(2-thiophen-2-ylethyl)-3H-isoindol-2-ium-1-amine bromide Openeye Name: 2-[2-(2-thienyl)ethyl]-3H-isoindol-2-ium-1-amine bromide CAS Name: 2-(2-thiophen-2-ylethyl)-3H-isoindol-2-ium-1-amine bromide IUPAC Name: 2-(2-thiophen-2-ylethyl)-3H-isoindol-2-ium-1-amine bromide Traditional Name: [2-[2-(2-thienyl)ethyl]-3H-isoindol-2-ium-1-yl]amine bromide Formula: C14H15BrN2S MolecularWeight: 323.2513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1CCC3=CC=CS3)N.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1CCC3=CC=CS3)N.[Br-]

InChI

InChI=1S/C14H14N2S.BrH/c15-14-13-6-2-1-4-11(13)10-16(14)8-7-12-5-3-9-17-12;/h1-6,9,15H,7-8,10H2;1H