10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphine Formula: C38H32N7+3 MolecularWeight: 586.70758

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)N3

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=CC4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)N3

InChI

InChI=1S/C38H31N7/c1-43-18-12-25(13-19-43)36-30-6-4-28(39-30)24-29-5-7-31(40-29)37(26-14-20-44(2)21-15-26)33-9-11-35(42-33)38(34-10-8-32(36)41-34)27-16-22-45(3)23-17-27/h4-24H,1-3H3,(H,39,40,41,42)/q+2/p+1