2-bromanyl-1-(phenanthren-9-ylmethyl)pyridin-1-ium bromide

Systemtic Name: 2-bromanyl-1-(phenanthren-9-ylmethyl)pyridin-1-ium bromide Openeye Name: 2-bromo-1-(9-phenanthrylmethyl)pyridin-1-ium bromide CAS Name: 2-bromo-1-(9-phenanthrenylmethyl)pyridin-1-ium bromide IUPAC Name: 2-bromo-1-(phenanthren-9-ylmethyl)pyridin-1-ium bromide Traditional Name: 2-bromo-1-(9-phenanthrylmethyl)pyridin-1-ium bromide Formula: C20H15Br2N MolecularWeight: 429.1478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C[N+]4=CC=CC=C4Br.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C[N+]4=CC=CC=C4Br.[Br-]

InChI

InChI=1S/C20H15BrN.BrH/c21-20-11-5-6-12-22(20)14-16-13-15-7-1-2-8-17(15)19-10-4-3-9-18(16)19;/h1-13H,14H2;1H/q+1;/p-1