5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)-21H-porphyrin

Systemtic Name: 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)-21H-porphyrin Openeye Name: 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridylidene)-21H-porphyrin CAS Name: 5,10,15-tris(1-methyl-4-pyridin-1-iumyl)-20-(1-methyl-4-pyridinylidene)-21H-porphyrin IUPAC Name: 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)-21H-porphyrin Traditional Name: 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridylidene)-21H-porphine Formula: C44H37N8+3 MolecularWeight: 677.81818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)C=C3)C=C1

Isomeric SMILES

CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)C=C3)C=C1

InChI

InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28,45H,1-4H3/q+3