4-[3,9-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]-N-[3-[4-[3-[[4-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]phenyl]carbonylamino]propylamino]butylamino]propyl]benzamide

Systemtic Name: 4-[3,9-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]-N-[3-[4-[3-[[4-[3,8-bis(azanyl)-5-methyl-phenanthridin-5-ium-6-yl]phenyl]carbonylamino]propylamino]butylamino]propyl]benzamide Openeye Name: 4-(3,9-diamino-5-methyl-phenanthridin-5-ium-6-yl)-N-[3-[4-[3-[[4-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)benzoyl]amino]propylamino]butylamino]propyl]benzamide CAS Name: 4-(3,9-diamino-5-methyl-6-phenanthridin-5-iumyl)-N-[3-[4-[3-[[[4-(3,8-diamino-5-methyl-6-phenanthridin-5-iumyl)phenyl]-oxomethyl]amino]propylamino]butylamino]propyl]benzamide IUPAC Name: 4-(3,9-diamino-5-methylphenanthridin-5-ium-6-yl)-N-[3-[4-[3-[[4-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)benzoyl]amino]propylamino]butylamino]propyl]benzamide Traditional Name: 4-(3,9-diamino-5-methyl-phenanthridin-5-ium-6-yl)-N-[3-[4-[3-[[4-(3,8-diamino-5-methyl-phenanthridin-5-ium-6-yl)benzoyl]amino]propylamino]butylamino]propyl]benzamide Formula: C52H58N10O2+2 MolecularWeight: 855.08272

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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)NCCCNCCCCNCCCNC(=O)C5=CC=C(C=C5)C6=C7C=CC(=CC7=C8C=CC(=CC8=[N+]6C)N)N)N)N

Isomeric SMILES

C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)C(=O)NCCCNCCCCNCCCNC(=O)C5=CC=C(C=C5)C6=C7C=CC(=CC7=C8C=CC(=CC8=[N+]6C)N)N)N)N

InChI

InChI=1S/C52H56N10O2/c1-61-48-32-40(56)17-21-43(48)45-29-37(53)18-22-44(45)49(61)33-7-11-35(12-8-33)51(63)59-27-5-25-57-23-3-4-24-58-26-6-28-60-52(64)36-13-9-34(10-14-36)50-46-30-38(54)15-19-41(46)42-20-16-39(55)31-47(42)62(50)2/h7-22,29-32,55,57-58H,3-6,23-28H2,1-2H3,(H7,53,54,56,59,60,63,64)/p+2