3-methyl-2-[15-(3-methyl-1,3-thiazol-3-ium-2-yl)-21,22-dihydroporphyrin-5-yl]-1,3-thiazol-3-ium

Systemtic Name: 3-methyl-2-[15-(3-methyl-1,3-thiazol-3-ium-2-yl)-21,22-dihydroporphyrin-5-yl]-1,3-thiazol-3-ium Openeye Name: 3-methyl-2-[15-(3-methylthiazol-3-ium-2-yl)-21,22-dihydroporphyrin-5-yl]thiazol-3-ium CAS Name: 3-methyl-2-[15-(3-methyl-2-thiazol-3-iumyl)-21,22-dihydroporphyrin-5-yl]thiazol-3-ium IUPAC Name: 3-methyl-2-[15-(3-methyl-1,3-thiazol-3-ium-2-yl)-21,22-dihydroporphyrin-5-yl]-1,3-thiazol-3-ium Traditional Name: 3-methyl-2-[15-(3-methylthiazol-3-ium-2-yl)-21,22-dihydroporphin-5-yl]thiazol-3-ium Formula: C28H22N6S2+2 MolecularWeight: 506.64448

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=[N+](C=CS7)C)C=C4)N3

Isomeric SMILES

C[N+]1=C(SC=C1)C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=[N+](C=CS7)C)C=C4)N3

InChI

InChI=1S/C28H21N6S2/c1-33-11-13-35-27(33)25-21-7-3-17(29-21)15-19-5-9-23(31-19)26(28-34(2)12-14-36-28)24-10-6-20(32-24)16-18-4-8-22(25)30-18/h3-16H,1-2H3,(H,29,30,31,32)/q+1/p+1