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

Systemtic Name: 3-[3,8-bis(azanyl)phenanthridin-5-ium-5-yl]propyl-diethyl-methyl-azanium diiodide Openeye Name: 3-(3,8-diaminophenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium diiodide CAS Name: 3-(3,8-diamino-5-phenanthridin-5-iumyl)propyl-diethyl-methylammonium diiodide IUPAC Name: 3-(3,8-diaminophenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium diiodide Traditional Name: 3-(3,8-diaminophenanthridin-5-ium-5-yl)propyl-diethyl-methyl-ammonium diiodide Formula: C21H30I2N4 MolecularWeight: 592.29864

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1)N)N.[I-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1)N)N.[I-].[I-]

InChI

InChI=1S/C21H29N4.2HI/c1-4-25(3,5-2)12-6-11-24-15-16-13-17(22)7-9-19(16)20-10-8-18(23)14-21(20)24;;/h7-10,13-15,23H,4-6,11-12,22H2,1-3H3;2*1H/q+1;;/p-1