3-[2,7-bis(azanyl)-9-phenyl-phenanthridin-10-yl]propyl-pentan-3-yl-azanium diiodide

Systemtic Name: 3-[2,7-bis(azanyl)-9-phenyl-phenanthridin-10-yl]propyl-pentan-3-yl-azanium diiodide Openeye Name: 3-(2,7-diamino-9-phenyl-phenanthridin-10-yl)propyl-(1-ethylpropyl)ammonium diiodide CAS Name: 3-(2,7-diamino-9-phenyl-10-phenanthridinyl)propyl-pentan-3-ylammonium diiodide IUPAC Name: 3-(2,7-diamino-9-phenylphenanthridin-10-yl)propyl-pentan-3-ylazanium diiodide Traditional Name: 3-(2,7-diamino-9-phenyl-phenanthridin-10-yl)propyl-(1-ethylpropyl)ammonium diiodide Formula: C27H33I2N4- MolecularWeight: 667.38666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CCCC1=C2C3=C(C=CC(=C3)N)N=CC2=C(C=C1C4=CC=CC=C4)N.[I-].[I-]

Isomeric SMILES

CCC(CC)[NH2+]CCCC1=C2C3=C(C=CC(=C3)N)N=CC2=C(C=C1C4=CC=CC=C4)N.[I-].[I-]

InChI

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