5-(3-methoxyphenyl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 5-(3-methoxyphenyl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 5-(3-methoxyphenyl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 5-(3-methoxyphenyl)-10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5-(3-methoxyphenyl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 5-(3-methoxyphenyl)-10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphine Formula: C45H38N7O+3 MolecularWeight: 692.82952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H37N7O/c1-50-22-16-29(17-23-50)42-34-8-10-36(46-34)43(30-18-24-51(2)25-19-30)38-12-14-40(48-38)45(32-6-5-7-33(28-32)53-4)41-15-13-39(49-41)44(37-11-9-35(42)47-37)31-20-26-52(3)27-21-31/h5-28H,1-4H3,(H,46,47,48,49)/q+2/p+1