5-bromanyl-3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole bromide

Systemtic Name: 5-bromanyl-3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole bromide Openeye Name: 5-bromo-3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole bromide CAS Name: 5-bromo-3-[(1-methyl-3-pyridin-1-iumyl)methyl]-1H-indole bromide IUPAC Name: 5-bromo-3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole bromide Traditional Name: 5-bromo-3-[(1-methylpyridin-1-ium-3-yl)methyl]-1H-indole bromide Formula: C15H14Br2N2 MolecularWeight: 382.09306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC2=CNC3=C2C=C(C=C3)Br.[Br-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)CC2=CNC3=C2C=C(C=C3)Br.[Br-]

InChI

InChI=1S/C15H14BrN2.BrH/c1-18-6-2-3-11(10-18)7-12-9-17-15-5-4-13(16)8-14(12)15;/h2-6,8-10,17H,7H2,1H3;1H/q+1;/p-1