6-phenyl-5-(3-piperazin-1-ylpropyl)phenanthridin-5-ium-3,8-diamine bromide

Systemtic Name: 6-phenyl-5-(3-piperazin-1-ylpropyl)phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 6-phenyl-5-(3-piperazin-1-ylpropyl)phenanthridin-5-ium-3,8-diamine bromide CAS Name: 6-phenyl-5-[3-(1-piperazinyl)propyl]phenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 6-phenyl-5-(3-piperazin-1-ylpropyl)phenanthridin-5-ium-3,8-diamine bromide Traditional Name: [3-amino-6-phenyl-5-(3-piperazinopropyl)phenanthridin-5-ium-8-yl]amine bromide Formula: C26H30BrN5 MolecularWeight: 492.4539

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCC[N+]2=C3C=C(C=CC3=C4C=CC(=CC4=C2C5=CC=CC=C5)N)N.[Br-]

Isomeric SMILES

C1CN(CCN1)CCC[N+]2=C3C=C(C=CC3=C4C=CC(=CC4=C2C5=CC=CC=C5)N)N.[Br-]

InChI

InChI=1S/C26H29N5.BrH/c27-20-7-9-22-23-10-8-21(28)18-25(23)31(14-4-13-30-15-11-29-12-16-30)26(24(22)17-20)19-5-2-1-3-6-19;/h1-3,5-10,17-18,28-29H,4,11-16,27H2;1H