3-(dimethylamino)propyl-[3-[4-[15-[4-[3-[3-(dimethylamino)propyl-dimethyl-azaniumyl]propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]-dimethyl-azanium

Systemtic Name: 3-(dimethylamino)propyl-[3-[4-[15-[4-[3-[3-(dimethylamino)propyl-dimethyl-azaniumyl]propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]-dimethyl-azanium Openeye Name: 3-(dimethylamino)propyl-[3-[4-[15-[4-[3-[3-(dimethylamino)propyl-dimethyl-ammonio]propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]-dimethyl-ammonium CAS Name: 3-(dimethylamino)propyl-[3-[4-[15-[4-[3-[3-(dimethylamino)propyl-dimethylammonio]propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]-dimethylammonium IUPAC Name: 3-(dimethylamino)propyl-[3-[4-[15-[4-[3-[3-(dimethylamino)propyl-dimethylazaniumyl]propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl]-dimethylazanium Traditional Name: 3-(dimethylamino)propyl-[3-[4-[15-[4-[3-[3-(dimethylamino)propyl-dimethyl-ammonio]propoxy]phenyl]-21,22-dihydroporphin-5-yl]phenoxy]propyl]-dimethyl-ammonium Formula: C52H68N8O2+2 MolecularWeight: 837.14872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC[N+](C)(C)CCCOC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)OCCC[N+](C)(C)CCCN(C)C)C=C4)N3

Isomeric SMILES

CN(C)CCC[N+](C)(C)CCCOC1=CC=C(C=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=CC=C(C=C7)OCCC[N+](C)(C)CCCN(C)C)C=C4)N3

InChI

InChI=1S/C52H68N8O2/c1-57(2)29-9-31-59(5,6)33-11-35-61-45-21-13-39(14-22-45)51-47-25-17-41(53-47)37-43-19-27-49(55-43)52(50-28-20-44(56-50)38-42-18-26-48(51)54-42)40-15-23-46(24-16-40)62-36-12-34-60(7,8)32-10-30-58(3)4/h13-28,37-38,53-54H,9-12,29-36H2,1-8H3/q+2