6-phenyl-5-[3-(2-pyridin-2-ylethylamino)propyl]phenanthridin-5-ium-3,8-diamine hydrochloride

Systemtic Name: 6-phenyl-5-[3-(2-pyridin-2-ylethylamino)propyl]phenanthridin-5-ium-3,8-diamine hydrochloride Openeye Name: 6-phenyl-5-[3-[2-(2-pyridyl)ethylamino]propyl]phenanthridin-5-ium-3,8-diamine hydrochloride CAS Name: 6-phenyl-5-[3-[2-(2-pyridinyl)ethylamino]propyl]phenanthridin-5-ium-3,8-diamine hydrochloride IUPAC Name: 6-phenyl-5-[3-(2-pyridin-2-ylethylamino)propyl]phenanthridin-5-ium-3,8-diamine hydrochloride Traditional Name: 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-[2-(2-pyridyl)ethyl]amine hydrochloride Formula: C29H31ClN5+ MolecularWeight: 485.04294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2CCCNCCC5=CC=CC=N5)N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C4C=CC(=CC4=[N+]2CCCNCCC5=CC=CC=N5)N)N.Cl

InChI

InChI=1S/C29H29N5.ClH/c30-22-10-12-25-26-13-11-23(31)20-28(26)34(29(27(25)19-22)21-7-2-1-3-8-21)18-6-15-32-17-14-24-9-4-5-16-33-24;/h1-5,7-13,16,19-20,31-32H,6,14-15,17-18,30H2;1H/p+1