5,15-bis[4-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]phenyl]-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis[4-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]phenyl]-21,22-dihydroporphyrin Openeye Name: 5,15-bis[4-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]phenyl]-21,22-dihydroporphyrin CAS Name: 5,15-bis[4-[2-(1-methyl-1-piperidin-1-iumyl)ethoxy]phenyl]-21,22-dihydroporphyrin IUPAC Name: 5,15-bis[4-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]phenyl]-21,22-dihydroporphyrin Traditional Name: 5,15-bis[4-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]phenyl]-21,22-dihydroporphine Formula: C48H54N6O2+2 MolecularWeight: 746.98136

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOC2=CC=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3N7)C=C6)C8=CC=C(C=C8)OCC[N+]9(CCCCC9)C)C=C5)N4

Isomeric SMILES

C[N+]1(CCCCC1)CCOC2=CC=C(C=C2)C3=C4C=CC(=CC5=NC(=C(C6=NC(=CC7=CC=C3N7)C=C6)C8=CC=C(C=C8)OCC[N+]9(CCCCC9)C)C=C5)N4

InChI

InChI=1S/C48H54N6O2/c1-53(25-5-3-6-26-53)29-31-55-41-17-9-35(10-18-41)47-43-21-13-37(49-43)33-39-15-23-45(51-39)48(46-24-16-40(52-46)34-38-14-22-44(47)50-38)36-11-19-42(20-12-36)56-32-30-54(2)27-7-4-8-28-54/h9-24,33-34,49-50H,3-8,25-32H2,1-2H3/q+2