4-phenanthridin-5-ium-5-ylbutanenitrile bromide

Systemtic Name: 4-phenanthridin-5-ium-5-ylbutanenitrile bromide Openeye Name: 4-phenanthridin-5-ium-5-ylbutanenitrile bromide CAS Name: 4-(5-phenanthridin-5-iumyl)butanenitrile bromide IUPAC Name: 4-phenanthridin-5-ium-5-ylbutanenitrile bromide Traditional Name: 4-phenanthridin-5-ium-5-ylbutyronitrile bromide Formula: C17H15BrN2 MolecularWeight: 327.2184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=[N+](C3=CC=CC=C23)CCCC#N.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=[N+](C3=CC=CC=C23)CCCC#N.[Br-]

InChI

InChI=1S/C17H15N2.BrH/c18-11-5-6-12-19-13-14-7-1-2-8-15(14)16-9-3-4-10-17(16)19;/h1-4,7-10,13H,5-6,12H2;1H/q+1;/p-1