6-phenyl-5-prop-2-enyl-phenanthridin-5-ium-3,8-diamine bromide

Systemtic Name: 6-phenyl-5-prop-2-enyl-phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 5-allyl-6-phenyl-phenanthridin-5-ium-3,8-diamine bromide CAS Name: 6-phenyl-5-prop-2-enylphenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 6-phenyl-5-prop-2-enylphenanthridin-5-ium-3,8-diamine bromide Traditional Name: (5-allyl-3-amino-6-phenyl-phenanthridin-5-ium-8-yl)amine bromide Formula: C22H20BrN3 MolecularWeight: 406.3183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3.BrH/c1-2-12-25-21-14-17(24)9-11-19(21)18-10-8-16(23)13-20(18)22(25)15-6-4-3-5-7-15;/h2-11,13-14,24H,1,12,23H2;1H