4-[(5-nitroquinolin-1-ium-1-yl)methyl]benzenecarbonitrile bromide

Systemtic Name: 4-[(5-nitroquinolin-1-ium-1-yl)methyl]benzenecarbonitrile bromide Openeye Name: 4-[(5-nitroquinolin-1-ium-1-yl)methyl]benzonitrile bromide CAS Name: 4-[(5-nitro-1-quinolin-1-iumyl)methyl]benzonitrile bromide IUPAC Name: 4-[(5-nitroquinolin-1-ium-1-yl)methyl]benzonitrile bromide Traditional Name: 4-[(5-nitroquinolin-1-ium-1-yl)methyl]benzonitrile bromide Formula: C17H12BrN3O2 MolecularWeight: 370.20008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=[N+]2CC3=CC=C(C=C3)C#N)C(=C1)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC2=C(C=CC=[N+]2CC3=CC=C(C=C3)C#N)C(=C1)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H12N3O2.BrH/c18-11-13-6-8-14(9-7-13)12-19-10-2-3-15-16(19)4-1-5-17(15)20(21)22;/h1-10H,12H2;1H/q+1;/p-1