manganese(2+); 6-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diid-5-yl]phenoxy]propyl]hexanamide

Systemtic Name: manganese(2+); 6-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diid-5-yl]phenoxy]propyl]hexanamide Openeye Name: manganous 6-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diid-5-yl]phenoxy]propyl]hexanamide CAS Name: manganese(2+); 6-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-5-porphyrin-22,24-diidyl]phenoxy]propyl]hexanamide IUPAC Name: manganese(2+); 6-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diid-5-yl]phenoxy]propyl]hexanamide Traditional Name: manganous 6-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-N-[3-[4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphine-22,24-diid-5-yl]phenoxy]propyl]hexanamide Formula: C71H66MnN10O3+4 MolecularWeight: 1162.286989

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=C[N+](=C3)CCCCCC(=O)NCCCOC4=CC=C(C=C4)C5=C6C=CC(=C(C7=NC(=C(C8=CC=C([N-]8)C(=C9C=CC5=N9)C1=CC=[N+](C=C1)C)C1=CC=[N+](C=C1)C)C=C7)C1=CC=[N+](C=C1)C)[N-]6)C)C1=C(N2)C=CC(=C1)OC.[Mn+2]

Isomeric SMILES

CC1=C2C(=C(C3=C1C=C[N+](=C3)CCCCCC(=O)NCCCOC4=CC=C(C=C4)C5=C6C=CC(=C(C7=NC(=C(C8=CC=C([N-]8)C(=C9C=CC5=N9)C1=CC=[N+](C=C1)C)C1=CC=[N+](C=C1)C)C=C7)C1=CC=[N+](C=C1)C)[N-]6)C)C1=C(N2)C=CC(=C1)OC.[Mn+2]

InChI

InChI=1S/C71H64N10O3.Mn/c1-45-55-44-81(41-32-53(55)46(2)71-66(45)54-43-52(83-6)16-17-56(54)77-71)34-9-7-8-11-65(82)72-33-10-42-84-51-14-12-47(13-15-51)67-57-18-20-59(73-57)68(48-26-35-78(3)36-27-48)61-22-24-63(75-61)70(50-30-39-80(5)40-31-50)64-25-23-62(76-64)69(60-21-19-58(67)74-60)49-28-37-79(4)38-29-49;/h12-32,35-41,43-44H,7-11,33-34,42H2,1-6H3;/q;+2/p+2