9,10-diaminocarbonyl-3,4-bis(N'-pentylcarbamimidoyl)perylene-1-carboxylic acid

Systemtic Name: 9,10-diaminocarbonyl-3,4-bis(N'-pentylcarbamimidoyl)perylene-1-carboxylic acid Openeye Name: 9,10-dicarbamoyl-3,4-bis(N'-pentylcarbamimidoyl)perylene-1-carboxylic acid CAS Name: 3,4-bis[amino(pentylimino)methyl]-9,10-dicarbamoyl-1-perylenecarboxylic acid IUPAC Name: 9,10-dicarbamoyl-3,4-bis(N'-pentylcarbamimidoyl)perylene-1-carboxylic acid Traditional Name: 3,4-bis(N'-amylamidino)-9,10-dicarbamoyl-perylene-1-carboxylic acid Formula: C35H38N6O4 MolecularWeight: 606.71402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(C1=C2C(=CC(=C3C2=C(C=C1)C4=C5C3=CC=C(C5=C(C=C4)C(=O)N)C(=O)N)C(=O)O)C(=NCCCCC)N)N

Isomeric SMILES

CCCCCN=C(C1=C2C(=CC(=C3C2=C(C=C1)C4=C5C3=CC=C(C5=C(C=C4)C(=O)N)C(=O)N)C(=O)O)C(=NCCCCC)N)N

InChI

InChI=1S/C35H38N6O4/c1-3-5-7-15-40-31(36)21-12-9-19-18-10-13-22(33(38)42)29-23(34(39)43)14-11-20(26(18)29)27-25(35(44)45)17-24(28(21)30(19)27)32(37)41-16-8-6-4-2/h9-14,17H,3-8,15-16H2,1-2H3,(H2,36,40)(H2,37,41)(H2,38,42)(H2,39,43)(H,44,45)