N-[3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]ethanamide

Systemtic Name: N-[3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]ethanamide Openeye Name: N-[3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]acetamide CAS Name: N-[3-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin-5-yl]phenyl]acetamide IUPAC Name: N-[3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]phenyl]acetamide Traditional Name: N-[3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphin-5-yl]phenyl]acetamide Formula: C46H39N8O+3 MolecularWeight: 719.85486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)N3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)N3

InChI

InChI=1S/C46H37N8O/c1-29(55)47-34-7-5-6-33(28-34)46-41-14-12-39(50-41)44(31-18-24-53(3)25-19-31)37-10-8-35(48-37)43(30-16-22-52(2)23-17-30)36-9-11-38(49-36)45(40-13-15-42(46)51-40)32-20-26-54(4)27-21-32/h5-28H,1-4H3,(H-,47,48,49,50,51,55)/q+1/p+2