10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(1-octadecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(1-octadecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(1-octadecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-5-(1-octadecyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(1-octadecylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-5-(1-stearylpyridin-1-ium-4-yl)-21,22-dihydroporphine Formula: C61H72N8+4 MolecularWeight: 917.27798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)N3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)N3

InChI

InChI=1S/C61H71N8/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37-69-44-35-49(36-45-69)61-56-27-25-54(64-56)59(47-31-40-67(3)41-32-47)52-23-21-50(62-52)58(46-29-38-66(2)39-30-46)51-22-24-53(63-51)60(55-26-28-57(61)65-55)48-33-42-68(4)43-34-48/h21-36,38-45H,5-20,37H2,1-4H3,(H,62,63,64,65)/q+3/p+1