6-phenyl-5-[3-(2-piperazin-1-ylethylamino)propyl]phenanthridin-5-ium-3,8-diamine hydrochloride

Systemtic Name: 6-phenyl-5-[3-(2-piperazin-1-ylethylamino)propyl]phenanthridin-5-ium-3,8-diamine hydrochloride Openeye Name: 6-phenyl-5-[3-(2-piperazin-1-ylethylamino)propyl]phenanthridin-5-ium-3,8-diamine hydrochloride CAS Name: 6-phenyl-5-[3-[2-(1-piperazinyl)ethylamino]propyl]phenanthridin-5-ium-3,8-diamine hydrochloride IUPAC Name: 6-phenyl-5-[3-(2-piperazin-1-ylethylamino)propyl]phenanthridin-5-ium-3,8-diamine hydrochloride Traditional Name: 3-(3,8-diamino-6-phenyl-phenanthridin-5-ium-5-yl)propyl-(2-piperazinoethyl)amine hydrochloride Formula: C28H36ClN6+ MolecularWeight: 492.07864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCNCCC[N+]2=C3C=C(C=CC3=C4C=CC(=CC4=C2C5=CC=CC=C5)N)N.Cl

Isomeric SMILES

C1CN(CCN1)CCNCCC[N+]2=C3C=C(C=CC3=C4C=CC(=CC4=C2C5=CC=CC=C5)N)N.Cl

InChI

InChI=1S/C28H34N6.ClH/c29-22-7-9-24-25-10-8-23(30)20-27(25)34(28(26(24)19-22)21-5-2-1-3-6-21)15-4-11-31-12-16-33-17-13-32-14-18-33;/h1-3,5-10,19-20,30-32H,4,11-18,29H2;1H/p+1