15-(1,3-dimethylimidazol-1-ium-2-yl)-5-(1,3-dimethylimidazol-2-ylidene)-21H-porphyrin

Systemtic Name: 15-(1,3-dimethylimidazol-1-ium-2-yl)-5-(1,3-dimethylimidazol-2-ylidene)-21H-porphyrin Openeye Name: 15-(1,3-dimethylimidazol-1-ium-2-yl)-5-(1,3-dimethylimidazol-2-ylidene)-21H-porphyrin CAS Name: 15-(1,3-dimethyl-2-imidazol-1-iumyl)-5-(1,3-dimethyl-2-imidazolylidene)-21H-porphyrin IUPAC Name: 15-(1,3-dimethylimidazol-1-ium-2-yl)-5-(1,3-dimethylimidazol-2-ylidene)-21H-porphyrin Traditional Name: 5-(1,3-dimethyl-4-imidazolin-2-ylidene)-15-(1,3-dimethylimidazol-1-ium-2-yl)-21H-porphine Formula: C30H27N8+ MolecularWeight: 499.58898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=C2C3=NC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=[N+](C=CN7C)C)C=C4)C=C3)C

Isomeric SMILES

CN1C=CN(C1=C2C3=NC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=[N+](C=CN7C)C)C=C4)C=C3)C

InChI

InChI=1S/C30H27N8/c1-35-13-14-36(2)29(35)27-23-9-5-19(31-23)17-21-7-11-25(33-21)28(30-37(3)15-16-38(30)4)26-12-8-22(34-26)18-20-6-10-24(27)32-20/h5-18,31H,1-4H3/q+1