2-[4-[10,15,20-tris[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-21H-porphyrin-5-ylidene]pyridin-1-yl]ethanol

Systemtic Name: 2-[4-[10,15,20-tris[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-21H-porphyrin-5-ylidene]pyridin-1-yl]ethanol Openeye Name: 2-[4-[10,15,20-tris[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-21H-porphyrin-5-ylidene]-1-pyridyl]ethanol CAS Name: 2-[4-[10,15,20-tris[1-(2-hydroxyethyl)-4-pyridin-1-iumyl]-21H-porphyrin-5-ylidene]-1-pyridinyl]ethanol IUPAC Name: 2-[4-[10,15,20-tris[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-21H-porphyrin-5-ylidene]pyridin-1-yl]ethanol Traditional Name: 2-[4-[10,15,20-tris[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]-21H-porphin-5-ylidene]-1-pyridyl]ethanol Formula: C48H45N8O4+3 MolecularWeight: 797.9221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC1=C(C3=NC(=C(C4=NC(=C(C5=CC=C(C2=C6C=CN(C=C6)CCO)N5)C7=CC=[N+](C=C7)CCO)C=C4)C8=CC=[N+](C=C8)CCO)C=C3)C9=CC=[N+](C=C9)CCO

Isomeric SMILES

C1=CC2=NC1=C(C3=NC(=C(C4=NC(=C(C5=CC=C(C2=C6C=CN(C=C6)CCO)N5)C7=CC=[N+](C=C7)CCO)C=C4)C8=CC=[N+](C=C8)CCO)C=C3)C9=CC=[N+](C=C9)CCO

InChI

InChI=1S/C48H45N8O4/c57-29-25-53-17-9-33(10-18-53)45-37-1-2-38(49-37)46(34-11-19-54(20-12-34)26-30-58)40-5-6-42(51-40)48(36-15-23-56(24-16-36)28-32-60)44-8-7-43(52-44)47(41-4-3-39(45)50-41)35-13-21-55(22-14-35)27-31-59/h1-24,49,57-60H,25-32H2/q+3