[azanyl-(2,3,4-triaminocarbonyl-5-carboxy-perylen-1-yl)methylidene]-bis(3,5-dimethylphenyl)azanium

Systemtic Name: [azanyl-(2,3,4-triaminocarbonyl-5-carboxy-perylen-1-yl)methylidene]-bis(3,5-dimethylphenyl)azanium Openeye Name: [amino-(2,3,4-tricarbamoyl-5-carboxy-perylen-1-yl)methylene]-bis(3,5-dimethylphenyl)ammonium CAS Name: [amino-(2,3,4-tricarbamoyl-5-carboxy-1-perylenyl)methylidene]-bis(3,5-dimethylphenyl)ammonium IUPAC Name: [amino-(2,3,4-tricarbamoyl-5-carboxyperylen-1-yl)methylidene]-bis(3,5-dimethylphenyl)azanium Traditional Name: [amino-(2,3,4-tricarbamoyl-5-carboxy-perylen-1-yl)methylene]-bis(3,5-dimethylphenyl)ammonium Formula: C41H34N5O5+ MolecularWeight: 676.73916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)[N+](=C(C2=C(C(=C3C4=C2C5=CC=CC6=C5C(=CC=C6)C4=CC(=C3C(=O)N)C(=O)O)C(=O)N)C(=O)N)N)C7=CC(=CC(=C7)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)[N+](=C(C2=C(C(=C3C4=C2C5=CC=CC6=C5C(=CC=C6)C4=CC(=C3C(=O)N)C(=O)O)C(=O)N)C(=O)N)N)C7=CC(=CC(=C7)C)C)C

InChI

InChI=1S/C41H33N5O5/c1-18-11-19(2)14-23(13-18)46(24-15-20(3)12-21(4)16-24)37(42)34-30-26-10-6-8-22-7-5-9-25(29(22)26)27-17-28(41(50)51)32(38(43)47)33(31(27)30)35(39(44)48)36(34)40(45)49/h5-17,42H,1-4H3,(H7,43,44,45,47,48,49,50,51)/p+1