(4-aminophenyl)-(8-azanyl-5-methyl-phenanthridin-5-ium-6-yl)methanone bromide

Systemtic Name: (4-aminophenyl)-(8-azanyl-5-methyl-phenanthridin-5-ium-6-yl)methanone bromide Openeye Name: (8-amino-5-methyl-phenanthridin-5-ium-6-yl)-(4-aminophenyl)methanone bromide CAS Name: (8-amino-5-methyl-6-phenanthridin-5-iumyl)-(4-aminophenyl)methanone bromide IUPAC Name: (8-amino-5-methylphenanthridin-5-ium-6-yl)-(4-aminophenyl)methanone bromide Traditional Name: (8-amino-5-methyl-phenanthridin-5-ium-6-yl)-(4-aminophenyl)methanone bromide Formula: C21H18BrN3O MolecularWeight: 408.29112

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C(=O)C4=CC=C(C=C4)N.[Br-]

Isomeric SMILES

C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C(=O)C4=CC=C(C=C4)N.[Br-]

InChI

InChI=1S/C21H17N3O.BrH/c1-24-19-5-3-2-4-17(19)16-11-10-15(23)12-18(16)20(24)21(25)13-6-8-14(22)9-7-13;/h2-12H,1H3,(H3-,22,23,25);1H