6-(4-aminophenyl)-5-methyl-phenanthridin-5-ium-9-amine chloride

Systemtic Name: 6-(4-aminophenyl)-5-methyl-phenanthridin-5-ium-9-amine chloride Openeye Name: 6-(4-aminophenyl)-5-methyl-phenanthridin-5-ium-9-amine chloride CAS Name: 6-(4-aminophenyl)-5-methyl-9-phenanthridin-5-iumamine chloride IUPAC Name: 6-(4-aminophenyl)-5-methylphenanthridin-5-ium-9-amine chloride Traditional Name: [4-(9-amino-5-methyl-phenanthridin-5-ium-6-yl)phenyl]amine chloride Formula: C20H18ClN3 MolecularWeight: 335.83002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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