(E)-3-[1-(6-bromanylhexyl)pyridin-1-ium-4-yl]-1-phenyl-prop-2-en-1-one bromide

Systemtic Name: (E)-3-[1-(6-bromanylhexyl)pyridin-1-ium-4-yl]-1-phenyl-prop-2-en-1-one bromide Openeye Name: (E)-3-[1-(6-bromohexyl)pyridin-1-ium-4-yl]-1-phenyl-prop-2-en-1-one bromide CAS Name: (E)-3-[1-(6-bromohexyl)-4-pyridin-1-iumyl]-1-phenyl-2-propen-1-one bromide IUPAC Name: (E)-3-[1-(6-bromohexyl)pyridin-1-ium-4-yl]-1-phenylprop-2-en-1-one bromide Traditional Name: (E)-3-[1-(6-bromohexyl)pyridin-1-ium-4-yl]-1-phenyl-prop-2-en-1-one bromide Formula: C20H23Br2NO MolecularWeight: 453.21072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=CC2=CC=[N+](C=C2)CCCCCCBr.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/C2=CC=[N+](C=C2)CCCCCCBr.[Br-]

InChI

InChI=1S/C20H23BrNO.BrH/c21-14-6-1-2-7-15-22-16-12-18(13-17-22)10-11-20(23)19-8-4-3-5-9-19;/h3-5,8-13,16-17H,1-2,6-7,14-15H2;1H/q+1;/p-1/b11-10+;