2-[[8-(dimethylamino)-3,7-dimethyl-phenazin-10-ium-2-yl]amino]-1-(2-octadecoxyphenyl)ethanone bromide

Systemtic Name: 2-[[8-(dimethylamino)-3,7-dimethyl-phenazin-10-ium-2-yl]amino]-1-(2-octadecoxyphenyl)ethanone bromide Openeye Name: 2-[[8-(dimethylamino)-3,7-dimethyl-phenazin-10-ium-2-yl]amino]-1-(2-octadecoxyphenyl)ethanone bromide CAS Name: 2-[[8-(dimethylamino)-3,7-dimethyl-2-phenazin-10-iumyl]amino]-1-(2-octadecoxyphenyl)ethanone bromide IUPAC Name: 2-[[8-(dimethylamino)-3,7-dimethylphenazin-10-ium-2-yl]amino]-1-(2-octadecoxyphenyl)ethanone bromide Traditional Name: 2-[[8-(dimethylamino)-3,7-dimethyl-phenazin-10-ium-2-yl]amino]-1-(2-stearyloxyphenyl)ethanone bromide Formula: C42H61BrN4O2 MolecularWeight: 733.86334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CNC2=CC3=C(C=C2C)N=C4C=C(C(=CC4=[NH+]3)N(C)C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CNC2=CC3=C(C=C2C)N=C4C=C(C(=CC4=[NH+]3)N(C)C)C.[Br-]

InChI

InChI=1S/C42H60N4O2.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-48-42-25-22-21-24-34(42)41(47)31-43-35-29-38-36(27-32(35)2)44-37-28-33(3)40(46(4)5)30-39(37)45-38;/h21-22,24-25,27-30,43H,6-20,23,26,31H2,1-5H3;1H