5,10,15,20-tetrakis(3-ethyl-1-methyl-imidazol-1-ium-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(3-ethyl-1-methyl-imidazol-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(3-ethyl-1-methyl-imidazol-1-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(3-ethyl-1-methyl-4-imidazol-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(3-ethyl-1-methylimidazol-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(3-ethyl-1-methyl-imidazol-1-ium-4-yl)-21,22-dihydroporphine Formula: C44H50N12+4 MolecularWeight: 746.9482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C[N+](=CN7CC)C)C8=C[N+](=CN8CC)C)C9=C[N+](=CN9CC)C)N3)C

Isomeric SMILES

CCN1C=[N+](C=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C[N+](=CN7CC)C)C8=C[N+](=CN8CC)C)C9=C[N+](=CN9CC)C)N3)C

InChI

InChI=1S/C44H50N12/c1-9-53-25-49(5)21-37(53)41-29-13-15-31(45-29)42(38-22-50(6)26-54(38)10-2)33-17-19-35(47-33)44(40-24-52(8)28-56(40)12-4)36-20-18-34(48-36)43(32-16-14-30(41)46-32)39-23-51(7)27-55(39)11-3/h13-28,45-46H,9-12H2,1-8H3/q+4