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

Systemtic Name: 3-[3,8-bis(azanyl)-5-phenyl-phenanthridin-5-ium-6-yl]propyl-diethyl-methyl-azanium diiodide Openeye Name: 3-(3,8-diamino-5-phenyl-phenanthridin-5-ium-6-yl)propyl-diethyl-methyl-ammonium diiodide CAS Name: 3-(3,8-diamino-5-phenyl-6-phenanthridin-5-iumyl)propyl-diethyl-methylammonium diiodide IUPAC Name: 3-(3,8-diamino-5-phenylphenanthridin-5-ium-6-yl)propyl-diethyl-methylazanium diiodide Traditional Name: 3-(3,8-diamino-5-phenyl-phenanthridin-5-ium-6-yl)propyl-diethyl-methyl-ammonium diiodide Formula: C27H34I2N4 MolecularWeight: 668.3946

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1C4=CC=CC=C4)N)N.[I-].[I-]

Isomeric SMILES

CC[N+](C)(CC)CCCC1=C2C=C(C=CC2=C3C=CC(=CC3=[N+]1C4=CC=CC=C4)N)N.[I-].[I-]

InChI

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