3,7-dimethyl-10-(4-methylphenyl)-N2-phenyl-phenazin-10-ium-2,8-diamine sulfate

Systemtic Name: 3,7-dimethyl-10-(4-methylphenyl)-N2-phenyl-phenazin-10-ium-2,8-diamine sulfate Openeye Name: 3,7-dimethyl-N2-phenyl-10-(p-tolyl)phenazin-10-ium-2,8-diamine sulfate CAS Name: 3,7-dimethyl-10-(4-methylphenyl)-N2-phenylphenazin-10-ium-2,8-diamine sulfate IUPAC Name: 3,7-dimethyl-10-(4-methylphenyl)-2-N-phenylphenazin-10-ium-2,8-diamine sulfate Traditional Name: [8-amino-3,7-dimethyl-10-(p-tolyl)phenazin-10-ium-2-yl]-phenyl-amine sulfate Formula: C54H50N8O4S MolecularWeight: 907.091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C3C=C(C(=CC3=NC4=C2C=C(C(=C4)C)N)C)NC5=CC=CC=C5.CC1=CC=C(C=C1)[N+]2=C3C=C(C(=CC3=NC4=C2C=C(C(=C4)C)N)C)NC5=CC=CC=C5.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C3C=C(C(=CC3=NC4=C2C=C(C(=C4)C)N)C)NC5=CC=CC=C5.CC1=CC=C(C=C1)[N+]2=C3C=C(C(=CC3=NC4=C2C=C(C(=C4)C)N)C)NC5=CC=CC=C5.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C27H24N4.H2O4S/c2*1-17-9-11-21(12-10-17)31-26-15-22(28)18(2)13-24(26)30-25-14-19(3)23(16-27(25)31)29-20-7-5-4-6-8-20;1-5(2,3)4/h2*4-16H,1-3H3,(H2,28,29);(H2,1,2,3,4)