3,8-diazido-5-ethyl-6-phenyl-phenanthridin-5-ium bromide

Systemtic Name: 3,8-diazido-5-ethyl-6-phenyl-phenanthridin-5-ium bromide Openeye Name: 3,8-diazido-5-ethyl-6-phenyl-phenanthridin-5-ium bromide CAS Name: 3,8-diazido-5-ethyl-6-phenylphenanthridin-5-ium bromide IUPAC Name: 3,8-diazido-5-ethyl-6-phenylphenanthridin-5-ium bromide Traditional Name: 3,8-diazido-5-ethyl-6-phenyl-phenanthridin-5-ium bromide Formula: C21H16BrN7 MolecularWeight: 446.30264

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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+]=[N-].[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H16N7.BrH/c1-2-28-20-13-16(25-27-23)9-11-18(20)17-10-8-15(24-26-22)12-19(17)21(28)14-6-4-3-5-7-14;/h3-13H,2H2,1H3;1H/q+1;/p-1