2-[4-[15-(4-decoxyphenyl)-10,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-23,24-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethyl-azanium triiodide

Systemtic Name: 2-[4-[15-(4-decoxyphenyl)-10,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-23,24-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethyl-azanium triiodide Openeye Name: 2-[4-[15-(4-decoxyphenyl)-10,20-bis[4-[2-(trimethylammonio)ethoxy]phenyl]-23,24-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethyl-ammonium triiodide CAS Name: 2-[4-[15-(4-decoxyphenyl)-10,20-bis[4-[2-(trimethylammonio)ethoxy]phenyl]-23,24-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylammonium triiodide IUPAC Name: 2-[4-[15-(4-decoxyphenyl)-10,20-bis[4-[2-(trimethylazaniumyl)ethoxy]phenyl]-23,24-dihydroporphyrin-5-yl]phenoxy]ethyl-trimethylazanium triiodide Traditional Name: 2-[4-[15-(4-decoxyphenyl)-10,20-bis[4-[2-(trimethylammonio)ethoxy]phenyl]-23,24-dihydroporphin-5-yl]phenoxy]ethyl-trimethyl-ammonium triiodide Formula: C69H86I3N7O4 MolecularWeight: 1458.17905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)OCC[N+](C)(C)C)C=C5)C8=CC=C(C=C8)OCC[N+](C)(C)C)C=C4)C9=CC=C(C=C9)OCC[N+](C)(C)C)N3.[I-].[I-].[I-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=C(C=C7)OCC[N+](C)(C)C)C=C5)C8=CC=C(C=C8)OCC[N+](C)(C)C)C=C4)C9=CC=C(C=C9)OCC[N+](C)(C)C)N3.[I-].[I-].[I-]

InChI

InChI=1S/C69H86N7O4.3HI/c1-11-12-13-14-15-16-17-18-46-77-54-27-19-50(20-28-54)66-58-35-37-60(70-58)67(51-21-29-55(30-22-51)78-47-43-74(2,3)4)62-39-41-64(72-62)69(53-25-33-57(34-26-53)80-49-45-76(8,9)10)65-42-40-63(73-65)68(61-38-36-59(66)71-61)52-23-31-56(32-24-52)79-48-44-75(5,6)7;;;/h19-42,70-71H,11-18,43-49H2,1-10H3;3*1H/q+3;;;/p-3