5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine azide bromide

Systemtic Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine azide bromide Openeye Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-3,8-diamine azide bromide CAS Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine azide bromide IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine azide bromide Traditional Name: (3-amino-5-ethyl-6-phenyl-phenanthridin-5-ium-8-yl)amine azide bromide Formula: C21H20BrN6- MolecularWeight: 436.3277

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H19N3.BrH.N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;;1-3-2/h3-13,23H,2,22H2,1H3;1H;/q;;-1