5,10,15,20-tetrakis(1,6-dimethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1,6-dimethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1,6-dimethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1,6-dimethyl-2-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1,6-dimethylpyridin-1-ium-2-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1,6-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=CC=CC(=[N+]1C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=[N+](C(=CC=C7)C)C)C8=[N+](C(=CC=C8)C)C)C9=[N+](C(=CC=C9)C)C)N3

Isomeric SMILES

CC1=CC=CC(=[N+]1C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=[N+](C(=CC=C7)C)C)C8=[N+](C(=CC=C8)C)C)C9=[N+](C(=CC=C9)C)C)N3

InChI

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