5,15-bis(1-methylpyridin-1-ium-3-yl)-10-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)-21H-porphyrin

Systemtic Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)-21H-porphyrin Openeye Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10-(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridylidene)-21H-porphyrin CAS Name: 5,15-bis(1-methyl-3-pyridin-1-iumyl)-10-(1-methyl-4-pyridin-1-iumyl)-20-(1-methyl-4-pyridinylidene)-21H-porphyrin IUPAC Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10-(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)-21H-porphyrin Traditional Name: 5,15-bis(1-methylpyridin-1-ium-3-yl)-10-(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=C[N+](=CC=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=C[N+](=CC=C9)C)C=C3)C=C1

Isomeric SMILES

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

InChI

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