3-(5-methylphenanthridin-5-ium-1-yl)benzene-1,2-diamine bromide

Systemtic Name: 3-(5-methylphenanthridin-5-ium-1-yl)benzene-1,2-diamine bromide Openeye Name: 3-(5-methylphenanthridin-5-ium-1-yl)benzene-1,2-diamine bromide CAS Name: 3-(5-methyl-1-phenanthridin-5-iumyl)benzene-1,2-diamine bromide IUPAC Name: 3-(5-methylphenanthridin-5-ium-1-yl)benzene-1,2-diamine bromide Traditional Name: [2-amino-3-(5-methylphenanthridin-5-ium-1-yl)phenyl]amine bromide Formula: C20H18BrN3 MolecularWeight: 380.28102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC=CC=C2C3=C(C=CC=C31)C4=C(C(=CC=C4)N)N.[Br-]

Isomeric SMILES

C[N+]1=CC2=CC=CC=C2C3=C(C=CC=C31)C4=C(C(=CC=C4)N)N.[Br-]

InChI

InChI=1S/C20H17N3.BrH/c1-23-12-13-6-2-3-7-14(13)19-15(8-5-11-18(19)23)16-9-4-10-17(21)20(16)22;/h2-12,22H,21H2,1H3;1H