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

Systemtic Name: 3-[3,8-bis(azanyl)-6-phenyl-phenanthridin-5-ium-5-yl]propyl-pentan-3-yl-azanium diiodide Openeye Name: 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-(1-ethylpropyl)ammonium diiodide CAS Name: 3-(3,8-diamino-6-phenyl-5-phenanthridin-5-iumyl)propyl-pentan-3-ylammonium diiodide IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-pentan-3-ylazanium diiodide Traditional Name: 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-(1-ethylpropyl)ammonium diiodide Formula: C27H34I2N4 MolecularWeight: 668.3946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]

Isomeric SMILES

CCC(CC)[NH2+]CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]

InChI

InChI=1S/C27H32N4.2HI/c1-3-22(4-2)30-15-8-16-31-26-18-21(29)12-14-24(26)23-13-11-20(28)17-25(23)27(31)19-9-6-5-7-10-19;;/h5-7,9-14,17-18,22,29-30H,3-4,8,15-16,28H2,1-2H3;2*1H