3-[4-[10,20-diphenyl-15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl-trimethyl-azanium diiodide

Systemtic Name: 3-[4-[10,20-diphenyl-15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl-trimethyl-azanium diiodide Openeye Name: 3-[4-[10,20-diphenyl-15-[4-[3-(trimethylammonio)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl-trimethyl-ammonium diiodide CAS Name: 3-[4-[10,20-diphenyl-15-[4-[3-(trimethylammonio)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl-trimethylammonium diiodide IUPAC Name: 3-[4-[10,20-diphenyl-15-[4-[3-(trimethylazaniumyl)propoxy]phenyl]-21,22-dihydroporphyrin-5-yl]phenoxy]propyl-trimethylazanium diiodide Traditional Name: 3-[4-[10,20-diphenyl-15-[4-[3-(trimethylammonio)propoxy]phenyl]-21,22-dihydroporphin-5-yl]phenoxy]propyl-trimethyl-ammonium diiodide Formula: C56H58I2N6O2 MolecularWeight: 1100.90766

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=C(C=C8)OCCC[N+](C)(C)C)C=C4)C9=CC=CC=C9)N3.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)CCCOC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=C(C=C8)OCCC[N+](C)(C)C)C=C4)C9=CC=CC=C9)N3.[I-].[I-]

InChI

InChI=1S/C56H58N6O2.2HI/c1-61(2,3)35-13-37-63-43-23-19-41(20-24-43)55-49-31-27-45(57-49)53(39-15-9-7-10-16-39)47-29-33-51(59-47)56(42-21-25-44(26-22-42)64-38-14-36-62(4,5)6)52-34-30-48(60-52)54(40-17-11-8-12-18-40)46-28-32-50(55)58-46;;/h7-12,15-34,57-58H,13-14,35-38H2,1-6H3;2*1H/q+2;;/p-2