2-[2-[10,15,20-tris[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]-21,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]ethanamide

Systemtic Name: 2-[2-[10,15,20-tris[1-(2-azanyl-2-oxidanylidene-ethyl)pyridin-1-ium-2-yl]-21,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]ethanamide Openeye Name: 2-[2-[10,15,20-tris[1-(2-amino-2-oxo-ethyl)pyridin-1-ium-2-yl]-21,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]acetamide CAS Name: 2-[2-[10,15,20-tris[1-(2-amino-2-oxoethyl)-2-pyridin-1-iumyl]-21,24-dihydroporphyrin-5-yl]-1-pyridin-1-iumyl]acetamide IUPAC Name: 2-[2-[10,15,20-tris[1-(2-amino-2-oxoethyl)pyridin-1-ium-2-yl]-21,24-dihydroporphyrin-5-yl]pyridin-1-ium-1-yl]acetamide Traditional Name: 2-[2-[10,15,20-tris[1-(2-amino-2-keto-ethyl)pyridin-1-ium-2-yl]-21,24-dihydroporphin-5-yl]pyridin-1-ium-1-yl]acetamide Formula: C48H42N12O4+4 MolecularWeight: 850.92508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7CC(=O)N)C8=CC=CC=[N+]8CC(=O)N)C9=CC=CC=[N+]9CC(=O)N)N3)CC(=O)N

Isomeric SMILES

C1=CC=[N+](C(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7CC(=O)N)C8=CC=CC=[N+]8CC(=O)N)C9=CC=CC=[N+]9CC(=O)N)N3)CC(=O)N

InChI

InChI=1S/C48H38N12O4/c49-41(61)25-57-21-5-1-9-37(57)45-29-13-15-31(53-29)46(38-10-2-6-22-58(38)26-42(50)62)33-17-19-35(55-33)48(40-12-4-8-24-60(40)28-44(52)64)36-20-18-34(56-36)47(32-16-14-30(45)54-32)39-11-3-7-23-59(39)27-43(51)63/h1-24H,25-28H2,(H6-3,49,50,51,52,53,54,55,56,61,62,63,64)/p+4