15-(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin chloride

Systemtic Name: 15-(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin chloride Openeye Name: 15-(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin chloride CAS Name: 15-(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin chloride IUPAC Name: 15-(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin chloride Traditional Name: 15-(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphine chloride Formula: C26H20ClN5 MolecularWeight: 437.9235

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C=C4C=CC(=CC5=CC=C(N5)C=C6C=CC2=N6)N4.[Cl-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C=C4C=CC(=CC5=CC=C(N5)C=C6C=CC2=N6)N4.[Cl-]

InChI

InChI=1S/C26H19N5.ClH/c1-31-12-10-17(11-13-31)26-24-8-6-22(29-24)15-20-4-2-18(27-20)14-19-3-5-21(28-19)16-23-7-9-25(26)30-23;/h2-16H,1H3,(H,27,28,29,30);1H