3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium bromide

Systemtic Name: 3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium bromide Openeye Name: 3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium bromide CAS Name: 3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium bromide IUPAC Name: 3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium bromide Traditional Name: 3-phenyl-[1,2,4]triazin[3,2-a]isoquinolin-5-ium bromide Formula: C17H12BrN3 MolecularWeight: 338.20128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C3C4=CC=CC=C4C=C[N+]3=N2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C3C4=CC=CC=C4C=C[N+]3=N2.[Br-]

InChI

InChI=1S/C17H12N3.BrH/c1-2-7-14(8-3-1)16-12-18-17-15-9-5-4-6-13(15)10-11-20(17)19-16;/h1-12H;1H/q+1;/p-1