3-[8-azido-3-(methylamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-ethyl-dimethyl-azanium diiodide

Systemtic Name: 3-[8-azido-3-(methylamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-ethyl-dimethyl-azanium diiodide Openeye Name: 3-[8-azido-3-(methylamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-ethyl-dimethyl-ammonium diiodide CAS Name: 3-[8-azido-3-(methylamino)-6-phenyl-5-phenanthridin-5-iumyl]propyl-ethyl-dimethylammonium diiodide IUPAC Name: 3-[8-azido-3-(methylamino)-6-phenylphenanthridin-5-ium-5-yl]propyl-ethyl-dimethylazanium diiodide Traditional Name: 3-[8-azido-3-(methylamino)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-ethyl-dimethyl-ammonium diiodide Formula: C27H32I2N6 MolecularWeight: 694.39212

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])NC.[I-].[I-]

Isomeric SMILES

CC[N+](C)(C)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N=[N+]=[N-])NC.[I-].[I-]

InChI

InChI=1S/C27H31N6.2HI/c1-5-33(3,4)17-9-16-32-26-19-21(29-2)12-15-24(26)23-14-13-22(30-31-28)18-25(23)27(32)20-10-7-6-8-11-20;;/h6-8,10-15,18-19H,5,9,16-17H2,1-4H3;2*1H/q+1;;/p-1