5,10,15-tris(1-methylpyridin-1-ium-2-yl)-22,24-dihydro-21H-corrin

Systemtic Name: 5,10,15-tris(1-methylpyridin-1-ium-2-yl)-22,24-dihydro-21H-corrin Openeye Name: 5,10,15-tris(1-methylpyridin-1-ium-2-yl)-22,24-dihydro-21H-corrin CAS Name: 5,10,15-tris(1-methyl-2-pyridin-1-iumyl)-22,24-dihydro-21H-corrin IUPAC Name: 5,10,15-tris(1-methylpyridin-1-ium-2-yl)-22,24-dihydro-21H-corrin Traditional Name: 5,10,15-tris(1-methylpyridin-1-ium-2-yl)-22,24-dihydro-21H-corrin Formula: C37H32N7+3 MolecularWeight: 574.69688

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7C)C8=CC=CC=[N+]8C)N3

Isomeric SMILES

C[N+]1=CC=CC=C1C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=[N+]7C)C8=CC=CC=[N+]8C)N3

InChI

InChI=1S/C37H30N7/c1-42-21-7-4-10-32(42)35-26-15-13-24(38-26)25-14-16-27(39-25)36(33-11-5-8-22-43(33)2)29-18-20-31(41-29)37(30-19-17-28(35)40-30)34-12-6-9-23-44(34)3/h4-23H,1-3H3,(H,40,41)/q+1/p+2