N2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3H-isoindol-2-ium-1,2-diamine bromide

Systemtic Name: N2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-3H-isoindol-2-ium-1,2-diamine bromide Openeye Name: N2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-3H-isoindol-2-ium-1,2-diamine bromide CAS Name: N2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3H-isoindol-2-ium-1,2-diamine bromide IUPAC Name: 2-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3H-isoindol-2-ium-1,2-diamine bromide Traditional Name: (3-amino-1H-isoindol-2-ium-2-yl)-[3-chloro-5-(trifluoromethyl)-2-pyridyl]amine bromide Formula: C14H11BrClF3N4 MolecularWeight: 407.61615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=[N+]1NC3=C(C=C(C=N3)C(F)(F)F)Cl)N.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2C(=[N+]1NC3=C(C=C(C=N3)C(F)(F)F)Cl)N.[Br-]

InChI

InChI=1S/C14H10ClF3N4.BrH/c15-11-5-9(14(16,17)18)6-20-13(11)21-22-7-8-3-1-2-4-10(8)12(22)19;/h1-6,19H,7H2,(H,20,21);1H