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

Systemtic Name: 4-[[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]methyl]benzoate Openeye Name: 4-[(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)methyl]benzoate CAS Name: 4-[(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)methyl]benzoate IUPAC Name: 4-[(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)methyl]benzoate Traditional Name: 4-[(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)methyl]benzoate Formula: C27H21N3O2 MolecularWeight: 419.47454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2CC5=CC=C(C=C5)C(=O)[O-])N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2CC5=CC=C(C=C5)C(=O)[O-])N)N

InChI

InChI=1S/C27H21N3O2/c28-20-10-12-22-23-13-11-21(29)15-25(23)30(16-17-6-8-19(9-7-17)27(31)32)26(24(22)14-20)18-4-2-1-3-5-18/h1-15,29H,16,28H2,(H,31,32)