5-[3-(diethylamino)propyl]-6-phenyl-phenanthridin-5-ium-3,8-diamine; iodanylmethane; iodide

Systemtic Name: 5-[3-(diethylamino)propyl]-6-phenyl-phenanthridin-5-ium-3,8-diamine; iodanylmethane; iodide Openeye Name: 5-[3-(diethylamino)propyl]-6-phenyl-phenanthridin-5-ium-3,8-diamine; iodomethane; iodide CAS Name: 5-[3-(diethylamino)propyl]-6-phenylphenanthridin-5-ium-3,8-diamine; iodomethane; iodide IUPAC Name: 5-[3-(diethylamino)propyl]-6-phenylphenanthridin-5-ium-3,8-diamine; iodomethane; iodide Traditional Name: 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-diethyl-amine; iodomethane; iodide Formula: C27H34I2N4 MolecularWeight: 668.3946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4.CH3I.HI/c1-3-29(4-2)15-8-16-30-25-18-21(28)12-14-23(25)22-13-11-20(27)17-24(22)26(30)19-9-6-5-7-10-19;1-2;/h5-7,9-14,17-18,28H,3-4,8,15-16,27H2,1-2H3;1H3;1H