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

Systemtic Name: 6-phenyl-5-[3-(2-piperidin-1-ylethylamino)propyl]phenanthridin-5-ium-3,8-diamine hydrochloride Openeye Name: 6-phenyl-5-[3-[2-(1-piperidyl)ethylamino]propyl]phenanthridin-5-ium-3,8-diamine hydrochloride CAS Name: 6-phenyl-5-[3-[2-(1-piperidinyl)ethylamino]propyl]phenanthridin-5-ium-3,8-diamine hydrochloride IUPAC Name: 6-phenyl-5-[3-(2-piperidin-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-piperidinoethyl)amine hydrochloride Formula: C29H37ClN5+ MolecularWeight: 491.09058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNCCC[N+]2=C3C=C(C=CC3=C4C=CC(=CC4=C2C5=CC=CC=C5)N)N.Cl

Isomeric SMILES

C1CCN(CC1)CCNCCC[N+]2=C3C=C(C=CC3=C4C=CC(=CC4=C2C5=CC=CC=C5)N)N.Cl

InChI

InChI=1S/C29H35N5.ClH/c30-23-10-12-25-26-13-11-24(31)21-28(26)34(29(27(25)20-23)22-8-3-1-4-9-22)18-7-14-32-15-19-33-16-5-2-6-17-33;/h1,3-4,8-13,20-21,31-32H,2,5-7,14-19,30H2;1H/p+1