3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-azanium diiodate

Systemtic Name: 3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-azanium diiodate Openeye Name: 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium diiodate CAS Name: 3-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)propyl-diethyl-methylammonium diiodate IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium diiodate Traditional Name: 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium diiodate Formula: C27H34I2N4O6 MolecularWeight: 764.391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N4.2HIO3/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;2*2-1(3)4/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*(H,2,3,4)/q+1;;/p-1