5,10-bis(1-methylpyridin-1-ium-4-yl)-15-(1-methylpyridin-4-ylidene)-20-phenyl-porphyrin-22-ide chloride

Systemtic Name: 5,10-bis(1-methylpyridin-1-ium-4-yl)-15-(1-methylpyridin-4-ylidene)-20-phenyl-porphyrin-22-ide chloride Openeye Name: 5,10-bis(1-methylpyridin-1-ium-4-yl)-15-(1-methyl-4-pyridylidene)-20-phenyl-porphyrin-22-ide chloride CAS Name: 5,10-bis(1-methyl-4-pyridin-1-iumyl)-15-(1-methyl-4-pyridinylidene)-20-phenylporphyrin-22-ide chloride IUPAC Name: 5,10-bis(1-methylpyridin-1-ium-4-yl)-15-(1-methylpyridin-4-ylidene)-20-phenylporphyrin-22-ide chloride Traditional Name: 5,10-bis(1-methylpyridin-1-ium-4-yl)-15-(1-methyl-4-pyridylidene)-20-phenyl-porphin-22-ide chloride Formula: C44H34ClN7 MolecularWeight: 696.24066

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=CC=C9)C=C3)C=C1.[Cl-]

Isomeric SMILES

CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=CC=C9)C=C3)C=C1.[Cl-]

InChI

InChI=1S/C44H34N7.ClH/c1-49-23-17-30(18-24-49)42-35-11-9-33(45-35)41(29-7-5-4-6-8-29)34-10-12-36(46-34)43(31-19-25-50(2)26-20-31)38-14-16-40(48-38)44(39-15-13-37(42)47-39)32-21-27-51(3)28-22-32;/h4-28H,1-3H3;1H/q+1;/p-1