1-(6-chloranylphenanthren-3-yl)-2-pyridin-1-ium-1-yl-ethanone bromide

Systemtic Name: 1-(6-chloranylphenanthren-3-yl)-2-pyridin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(6-chloro-3-phenanthryl)-2-pyridin-1-ium-1-yl-ethanone bromide CAS Name: 1-(6-chloro-3-phenanthrenyl)-2-(1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(6-chlorophenanthren-3-yl)-2-pyridin-1-ium-1-ylethanone bromide Traditional Name: 1-(6-chloro-3-phenanthryl)-2-pyridin-1-ium-1-yl-ethanone bromide Formula: C21H15BrClNO MolecularWeight: 412.7069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=CC4=C3C=C(C=C4)Cl)C=C2.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=CC4=C3C=C(C=C4)Cl)C=C2.[Br-]

InChI

InChI=1S/C21H15ClNO.BrH/c22-18-9-8-16-5-4-15-6-7-17(12-19(15)20(16)13-18)21(24)14-23-10-2-1-3-11-23;/h1-13H,14H2;1H/q+1;/p-1