5,10,15,20-tetrakis(1-methylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride

Systemtic Name: 5,10,15,20-tetrakis(1-methylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride Openeye Name: 5,10,15,20-tetrakis(1-methylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride CAS Name: 5,10,15,20-tetrakis(1-methyl-3-pyridin-1-iumyl)-21,22-dihydroporphyrin tetrachloride IUPAC Name: 5,10,15,20-tetrakis(1-methylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride Traditional Name: 5,10,15,20-tetrakis(1-methylpyridin-1-ium-3-yl)-21,22-dihydroporphine tetrachloride Formula: C44H38Cl4N8 MolecularWeight: 820.63812

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C[N+](=CC=C7)C)C8=C[N+](=CC=C8)C)C9=C[N+](=CC=C9)C)N3.[Cl-].[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C[N+](=CC=C7)C)C8=C[N+](=CC=C8)C)C9=C[N+](=CC=C9)C)N3.[Cl-].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C44H38N8.4ClH/c1-49-21-5-9-29(25-49)41-33-13-15-35(45-33)42(30-10-6-22-50(2)26-30)37-17-19-39(47-37)44(32-12-8-24-52(4)28-32)40-20-18-38(48-40)43(36-16-14-34(41)46-36)31-11-7-23-51(3)27-31;;;;/h5-28,45-46H,1-4H3;4*1H/q+4;;;;/p-4