[2-methoxy-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]methyl-trimethyl-azanium iodide

Systemtic Name: [2-methoxy-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]methyl-trimethyl-azanium iodide Openeye Name: [2-methoxy-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]methyl-trimethyl-ammonium iodide CAS Name: [2-methoxy-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]methyl-trimethylammonium iodide IUPAC Name: [2-methoxy-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]methyl-trimethylazanium iodide Traditional Name: [2-methoxy-5-(10,15,20-triphenyl-21,22-dihydroporphin-5-yl)benzyl]-trimethyl-ammonium iodide Formula: C49H42IN5O MolecularWeight: 843.79515

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=C(C=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3)OC.[I-]

Isomeric SMILES

C[N+](C)(C)CC1=C(C=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3)OC.[I-]

InChI

InChI=1S/C49H42N5O.HI/c1-54(2,3)31-36-30-35(20-29-45(36)55-4)49-43-27-25-41(52-43)47(33-16-10-6-11-17-33)39-23-21-37(50-39)46(32-14-8-5-9-15-32)38-22-24-40(51-38)48(34-18-12-7-13-19-34)42-26-28-44(49)53-42;/h5-30,52-53H,31H2,1-4H3;1H/q+1;/p-1