4-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]benzoic acid

Systemtic Name: 4-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]benzoic acid Openeye Name: 4-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)benzoic acid CAS Name: 4-(3,8-diamino-5-methyl-6-phenanthridin-5-iumyl)benzoic acid IUPAC Name: 4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoic acid Traditional Name: 4-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)benzoic acid Formula: C21H18N3O2+ MolecularWeight: 344.38652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2/c1-24-19-11-15(23)7-9-17(19)16-8-6-14(22)10-18(16)20(24)12-2-4-13(5-3-12)21(25)26/h2-11,23H,22H2,1H3,(H,25,26)/p+1