5-methyl-6-phenyl-phenanthridin-5-ium-3,8-diamine bromide hydrate

Systemtic Name: 5-methyl-6-phenyl-phenanthridin-5-ium-3,8-diamine bromide hydrate Openeye Name: 5-methyl-6-phenyl-phenanthridin-5-ium-3,8-diamine bromide hydrate CAS Name: 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide hydrate IUPAC Name: 5-methyl-6-phenylphenanthridin-5-ium-3,8-diamine bromide hydrate Traditional Name: (3-amino-5-methyl-6-phenyl-phenanthridin-5-ium-8-yl)amine bromide hydrate Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3.BrH.H2O/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13;;/h2-12,22H,21H2,1H3;1H;1H2