[3-[2-[10,20-bis(3-decoxyphenyl)-15-[2-oxidanylidene-2-[3-(trimethylazaniumyl)phenyl]ethyl]-21,22-dihydroporphyrin-5-yl]ethanoyl]phenyl]-trimethyl-azanium diiodide

Systemtic Name: [3-[2-[10,20-bis(3-decoxyphenyl)-15-[2-oxidanylidene-2-[3-(trimethylazaniumyl)phenyl]ethyl]-21,22-dihydroporphyrin-5-yl]ethanoyl]phenyl]-trimethyl-azanium diiodide Openeye Name: [3-[2-[10,20-bis(3-decoxyphenyl)-15-[2-oxo-2-[3-(trimethylammonio)phenyl]ethyl]-21,22-dihydroporphyrin-5-yl]acetyl]phenyl]-trimethyl-ammonium diiodide CAS Name: [3-[2-[10,20-bis(3-decoxyphenyl)-15-[2-oxo-2-[3-(trimethylammonio)phenyl]ethyl]-21,22-dihydroporphyrin-5-yl]-1-oxoethyl]phenyl]-trimethylammonium diiodide IUPAC Name: [3-[2-[10,20-bis(3-decoxyphenyl)-15-[2-oxo-2-[3-(trimethylazaniumyl)phenyl]ethyl]-21,22-dihydroporphyrin-5-yl]acetyl]phenyl]-trimethylazanium diiodide Traditional Name: [3-[2-[10,20-bis(3-decoxyphenyl)-15-[2-keto-2-[3-(trimethylammonio)phenyl]ethyl]-21,22-dihydroporphin-5-yl]acetyl]phenyl]-trimethyl-ammonium diiodide Formula: C74H90I2N6O4 MolecularWeight: 1381.35314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)CC(=O)C7=CC(=CC=C7)[N+](C)(C)C)C8=CC(=CC=C8)OCCCCCCCCCC)CC(=O)C9=CC(=CC=C9)[N+](C)(C)C)N3.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)CC(=O)C7=CC(=CC=C7)[N+](C)(C)C)C8=CC(=CC=C8)OCCCCCCCCCC)CC(=O)C9=CC(=CC=C9)[N+](C)(C)C)N3.[I-].[I-]

InChI

InChI=1S/C74H90N6O4.2HI/c1-9-11-13-15-17-19-21-23-45-83-59-35-27-31-55(49-59)73-67-41-37-63(75-67)61(51-71(81)53-29-25-33-57(47-53)79(3,4)5)65-39-43-69(77-65)74(56-32-28-36-60(50-56)84-46-24-22-20-18-16-14-12-10-2)70-44-40-66(78-70)62(64-38-42-68(73)76-64)52-72(82)54-30-26-34-58(48-54)80(6,7)8;;/h25-44,47-50,75,77H,9-24,45-46,51-52H2,1-8H3;2*1H/q+2;;/p-2