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

Systemtic Name: 5,10,15,20-tetrakis[1-(2-methoxyethyl)-3-methyl-imidazol-3-ium-2-yl]-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis[1-(2-methoxyethyl)-3-methyl-imidazol-3-ium-2-yl]-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis[1-(2-methoxyethyl)-3-methyl-2-imidazol-3-iumyl]-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis[1-(2-methoxyethyl)-3-methylimidazol-3-ium-2-yl]-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis[1-(2-methoxyethyl)-3-methyl-imidazol-3-ium-2-yl]-21,22-dihydroporphine Formula: C48H58N12O4+4 MolecularWeight: 867.05212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C=C1)CCOC)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=[N+](C=CN7CCOC)C)C8=[N+](C=CN8CCOC)C)C9=[N+](C=CN9CCOC)C)N3

Isomeric SMILES

C[N+]1=C(N(C=C1)CCOC)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=[N+](C=CN7CCOC)C)C8=[N+](C=CN8CCOC)C)C9=[N+](C=CN9CCOC)C)N3

InChI

InChI=1S/C48H57N12O4/c1-53-17-21-57(25-29-61-5)45(53)41-33-9-11-35(49-33)42(46-54(2)18-22-58(46)26-30-62-6)37-13-15-39(51-37)44(48-56(4)20-24-60(48)28-32-64-8)40-16-14-38(52-40)43(36-12-10-34(41)50-36)47-55(3)19-23-59(47)27-31-63-7/h9-24H,25-32H2,1-8H3,(H,49,50,51,52)/q+3/p+1