5,10,15,20-tetrakis(1-ethyl-3-methyl-imidazol-3-ium-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-ethyl-3-methyl-imidazol-3-ium-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-ethyl-3-methyl-imidazol-3-ium-2-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-ethyl-3-methyl-2-imidazol-3-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-ethyl-3-methylimidazol-3-ium-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-ethyl-3-methyl-imidazol-3-ium-2-yl)-21,22-dihydroporphine Formula: C44H50N12+4 MolecularWeight: 746.9482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H49N12/c1-9-53-25-21-49(5)41(53)37-29-13-15-31(45-29)38(42-50(6)22-26-54(42)10-2)33-17-19-35(47-33)40(44-52(8)24-28-56(44)12-4)36-20-18-34(48-36)39(32-16-14-30(37)46-32)43-51(7)23-27-55(43)11-3/h13-28H,9-12H2,1-8H3,(H,45,46,47,48)/q+3/p+1