N-[2-(6-chloranyl-2-methoxy-acridin-9-yl)azanidylethyl]-4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-24-id-5-ylidene]pyridine-1-carboximidate

Systemtic Name: N-[2-(6-chloranyl-2-methoxy-acridin-9-yl)azanidylethyl]-4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-24-id-5-ylidene]pyridine-1-carboximidate Openeye Name: N-[2-(6-chloro-2-methoxy-acridin-9-yl)azanidylethyl]-4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-24-id-5-ylidene]pyridine-1-carboximidate CAS Name: N-[2-[(6-chloro-2-methoxy-9-acridinyl)azanidyl]ethyl]-4-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-5-porphyrin-24-idylidene]-1-pyridinecarboximidate IUPAC Name: N-[2-(6-chloro-2-methoxyacridin-9-yl)azanidylethyl]-4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphyrin-24-id-5-ylidene]pyridine-1-carboximidate Traditional Name: N-[2-(6-chloro-2-methoxy-acridin-9-yl)azanidylethyl]-4-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)porphin-24-id-5-ylidene]pyridine-1-carboximidate Formula: C60H46ClN11O2 MolecularWeight: 988.53274

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CN(C=C4)C(=NCC[N-]C5=C6C=C(C=CC6=NC7=C5C=CC(=C7)Cl)OC)[O-])C8=NC(=C(C9=CC=C([N-]9)C(=C1C=CC2=N1)C1=CC=[N+](C=C1)C)C1=CC=[N+](C=C1)C)C=C8

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CN(C=C4)C(=NCC[N-]C5=C6C=C(C=CC6=NC7=C5C=CC(=C7)Cl)OC)[O-])C8=NC(=C(C9=CC=C([N-]9)C(=C1C=CC2=N1)C1=CC=[N+](C=C1)C)C1=CC=[N+](C=C1)C)C=C8

InChI

InChI=1S/C60H46ClN11O2/c1-69-27-17-37(18-28-69)55-46-9-11-48(65-46)56(38-19-29-70(2)30-20-38)50-13-15-52(67-50)58(53-16-14-51(68-53)57(49-12-10-47(55)66-49)39-21-31-71(3)32-22-39)40-23-33-72(34-24-40)60(73)63-26-25-62-59-43-7-5-41(61)35-54(43)64-45-8-6-42(74-4)36-44(45)59/h5-24,27-36H,25-26H2,1-4H3