5-nitro-1-(phenylmethyl)quinolin-1-ium bromide

Systemtic Name: 5-nitro-1-(phenylmethyl)quinolin-1-ium bromide Openeye Name: 1-benzyl-5-nitro-quinolin-1-ium bromide CAS Name: 5-nitro-1-(phenylmethyl)quinolin-1-ium bromide IUPAC Name: 1-benzyl-5-nitroquinolin-1-ium bromide Traditional Name: 1-benzyl-5-nitro-quinolin-1-ium bromide Formula: C16H13BrN2O2 MolecularWeight: 345.19062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC3=C2C=CC=C3[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC3=C2C=CC=C3[N+](=O)[O-].[Br-]

InChI

InChI=1S/C16H13N2O2.BrH/c19-18(20)16-10-4-9-15-14(16)8-5-11-17(15)12-13-6-2-1-3-7-13;/h1-11H,12H2;1H/q+1;/p-1