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

Systemtic Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]benzamide Openeye Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]benzamide CAS Name: 3-[10,15,20-tris(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin-5-yl]benzamide IUPAC Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin-5-yl]benzamide Traditional Name: 3-[10,15,20-tris(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphin-5-yl]benzamide Formula: C45H37N8O+3 MolecularWeight: 705.82828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C9=CC(=CC=C9)C(=O)N)N3

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C9=CC(=CC=C9)C(=O)N)N3

InChI

InChI=1S/C45H35N8O/c1-51-21-15-28(16-22-51)41-33-7-9-35(47-33)42(29-17-23-52(2)24-18-29)37-11-13-39(49-37)44(31-5-4-6-32(27-31)45(46)54)40-14-12-38(50-40)43(36-10-8-34(41)48-36)30-19-25-53(3)26-20-30/h4-27H,1-3H3,(H2-,46,47,48,49,50,54)/q+1/p+2