15-(1-methylpyridin-1-ium-3-yl)-5,10,20-tris(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin

Systemtic Name: 15-(1-methylpyridin-1-ium-3-yl)-5,10,20-tris(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin Openeye Name: 15-(1-methylpyridin-1-ium-3-yl)-5,10,20-tris(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin CAS Name: 15-(1-methyl-3-pyridin-1-iumyl)-5,10,20-tris(1-methyl-3-quinolin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 15-(1-methylpyridin-1-ium-3-yl)-5,10,20-tris(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphyrin Traditional Name: 15-(1-methylpyridin-1-ium-3-yl)-5,10,20-tris(1-methylquinolin-1-ium-3-yl)-21,22-dihydroporphine Formula: C56H44N8+4 MolecularWeight: 829.00216

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC8=CC=CC=C8[N+](=C7)C)C9=CC1=CC=CC=C1[N+](=C9)C)N4)C1=CC2=CC=CC=C2[N+](=C1)C

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC8=CC=CC=C8[N+](=C7)C)C9=CC1=CC=CC=C1[N+](=C9)C)N4)C1=CC2=CC=CC=C2[N+](=C1)C

InChI

InChI=1S/C56H44N8/c1-61-27-11-15-38(31-61)53-42-19-21-44(57-42)54(39-28-35-12-5-8-16-50(35)62(2)32-39)46-23-25-48(59-46)56(41-30-37-14-7-10-18-52(37)64(4)34-41)49-26-24-47(60-49)55(45-22-20-43(53)58-45)40-29-36-13-6-9-17-51(36)63(3)33-40/h5-34,59-60H,1-4H3/q+4