3-[15-(3-aminocarbonylphenyl)-10,20-bis(1-methylpyridin-1-ium-4-yl)-21,24-dihydroporphyrin-5-yl]benzamide

Systemtic Name: 3-[15-(3-aminocarbonylphenyl)-10,20-bis(1-methylpyridin-1-ium-4-yl)-21,24-dihydroporphyrin-5-yl]benzamide Openeye Name: 3-[15-(3-carbamoylphenyl)-10,20-bis(1-methylpyridin-1-ium-4-yl)-21,24-dihydroporphyrin-5-yl]benzamide CAS Name: 3-[15-(3-carbamoylphenyl)-10,20-bis(1-methyl-4-pyridin-1-iumyl)-21,24-dihydroporphyrin-5-yl]benzamide IUPAC Name: 3-[15-(3-carbamoylphenyl)-10,20-bis(1-methylpyridin-1-ium-4-yl)-21,24-dihydroporphyrin-5-yl]benzamide Traditional Name: 3-[15-(3-carbamoylphenyl)-10,20-bis(1-methylpyridin-1-ium-4-yl)-21,24-dihydroporphin-5-yl]benzamide Formula: C46H36N8O2+2 MolecularWeight: 732.83044

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC(=CC=C7)C(=O)N)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC(=CC=C9)C(=O)N)N3

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC(=CC=C7)C(=O)N)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC(=CC=C9)C(=O)N)N3

InChI

InChI=1S/C46H34N8O2/c1-53-21-17-27(18-22-53)41-33-9-13-37(49-33)43(29-5-3-7-31(25-29)45(47)55)39-15-11-35(51-39)42(28-19-23-54(2)24-20-28)36-12-16-40(52-36)44(38-14-10-34(41)50-38)30-6-4-8-32(26-30)46(48)56/h3-26H,1-2H3,(H4-,47,48,49,50,51,52,55,56)/p+2