5-[3-(2-nitroimidazol-1-yl)propyl]phenanthridin-5-ium bromide

Systemtic Name: 5-[3-(2-nitroimidazol-1-yl)propyl]phenanthridin-5-ium bromide Openeye Name: 5-[3-(2-nitroimidazol-1-yl)propyl]phenanthridin-5-ium bromide CAS Name: 5-[3-(2-nitro-1-imidazolyl)propyl]phenanthridin-5-ium bromide IUPAC Name: 5-[3-(2-nitroimidazol-1-yl)propyl]phenanthridin-5-ium bromide Traditional Name: 5-[3-(2-nitroimidazol-1-yl)propyl]phenanthridin-5-ium bromide Formula: C19H17BrN4O2 MolecularWeight: 413.26788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=[N+](C3=CC=CC=C23)CCCN4C=CN=C4[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=[N+](C3=CC=CC=C23)CCCN4C=CN=C4[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H17N4O2.BrH/c24-23(25)19-20-10-13-21(19)11-5-12-22-14-15-6-1-2-7-16(15)17-8-3-4-9-18(17)22;/h1-4,6-10,13-14H,5,11-12H2;1H/q+1;/p-1