6-phenyl-5-propyl-phenanthridin-5-ium-3,8-diamine bromide

Systemtic Name: 6-phenyl-5-propyl-phenanthridin-5-ium-3,8-diamine bromide Openeye Name: 6-phenyl-5-propyl-phenanthridin-5-ium-3,8-diamine bromide CAS Name: 6-phenyl-5-propylphenanthridin-5-ium-3,8-diamine bromide IUPAC Name: 6-phenyl-5-propylphenanthridin-5-ium-3,8-diamine bromide Traditional Name: (3-amino-6-phenyl-5-propyl-phenanthridin-5-ium-8-yl)amine bromide Formula: C22H22BrN3 MolecularWeight: 408.33418

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-]

Isomeric SMILES

CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[Br-]

InChI

InChI=1S/C22H21N3.BrH/c1-2-12-25-21-14-17(24)9-11-19(21)18-10-8-16(23)13-20(18)22(25)15-6-4-3-5-7-15;/h3-11,13-14,24H,2,12,23H2,1H3;1H