8-azido-5-ethyl-6-phenyl-phenanthridin-5-ium-3-amine bromide

Systemtic Name: 8-azido-5-ethyl-6-phenyl-phenanthridin-5-ium-3-amine bromide Openeye Name: 8-azido-5-ethyl-6-phenyl-phenanthridin-5-ium-3-amine bromide CAS Name: 8-azido-5-ethyl-6-phenyl-3-phenanthridin-5-iumamine bromide IUPAC Name: 8-azido-5-ethyl-6-phenylphenanthridin-5-ium-3-amine bromide Traditional Name: (8-azido-5-ethyl-6-phenyl-phenanthridin-5-ium-3-yl)amine bromide Formula: C21H18BrN5 MolecularWeight: 420.30512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])N.[Br-]

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])N.[Br-]

InChI

InChI=1S/C21H17N5.BrH/c1-2-26-20-12-15(22)8-10-18(20)17-11-9-16(24-25-23)13-19(17)21(26)14-6-4-3-5-7-14;/h3-13,22H,2H2,1H3;1H