3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-prop-2-enyl-azanium diiodide

Systemtic Name: 3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-diethyl-prop-2-enyl-azanium diiodide Openeye Name: allyl-[3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl]-diethyl-ammonium diiodide CAS Name: 3-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)propyl-diethyl-prop-2-enylammonium diiodide IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-prop-2-enylazanium diiodide Traditional Name: allyl-[3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl]-diethyl-ammonium diiodide Formula: C29H36I2N4 MolecularWeight: 694.43188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35N4.2HI/c1-4-18-33(5-2,6-3)19-10-17-32-28-21-24(31)14-16-26(28)25-15-13-23(30)20-27(25)29(32)22-11-8-7-9-12-22;;/h4,7-9,11-16,20-21,31H,1,5-6,10,17-19,30H2,2-3H3;2*1H/q+1;;/p-1