5,10,15,20-tetrakis(1,3-dimethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1,3-dimethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1,3-dimethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1,3-dimethyl-2-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1,3-dimethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1,3-dimethylpyridin-1-ium-2-yl)-21,22-dihydroporphine Formula: C48H46N8+4 MolecularWeight: 734.93244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=[N+]7C)C)C8=C(C=CC=[N+]8C)C)C9=C(C=CC=[N+]9C)C)N3

Isomeric SMILES

CC1=C([N+](=CC=C1)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=[N+]7C)C)C8=C(C=CC=[N+]8C)C)C9=C(C=CC=[N+]9C)C)N3

InChI

InChI=1S/C48H45N8/c1-29-13-9-25-53(5)45(29)41-33-17-19-35(49-33)42(46-30(2)14-10-26-54(46)6)37-21-23-39(51-37)44(48-32(4)16-12-28-56(48)8)40-24-22-38(52-40)43(36-20-18-34(41)50-36)47-31(3)15-11-27-55(47)7/h9-28H,1-8H3,(H,49,50,51,52)/q+3/p+1