(20E)-5,10,15-tris(1-methylpyridin-1-ium-2-yl)-20-(1-methylpyridin-2-ylidene)-21H-porphyrin

Systemtic Name: (20E)-5,10,15-tris(1-methylpyridin-1-ium-2-yl)-20-(1-methylpyridin-2-ylidene)-21H-porphyrin Openeye Name: (20E)-5,10,15-tris(1-methylpyridin-1-ium-2-yl)-20-(1-methyl-2-pyridylidene)-21H-porphyrin CAS Name: (20E)-5,10,15-tris(1-methyl-2-pyridin-1-iumyl)-20-(1-methyl-2-pyridinylidene)-21H-porphyrin IUPAC Name: (20E)-5,10,15-tris(1-methylpyridin-1-ium-2-yl)-20-(1-methylpyridin-2-ylidene)-21H-porphyrin Traditional Name: (20E)-5,10,15-tris(1-methylpyridin-1-ium-2-yl)-20-(1-methyl-2-pyridylidene)-21H-porphine Formula: C44H37N8+3 MolecularWeight: 677.81818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=CC1=C2C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=[N+]7C)C=C5)C8=CC=CC=[N+]8C)C=C4)C9=CC=CC=[N+]9C)C=C3

Isomeric SMILES

CN\1C=CC=C/C1=C/2\C3=NC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=[N+]7C)C=C5)C8=CC=CC=[N+]8C)C=C4)C9=CC=CC=[N+]9C)C=C3

InChI

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