13-aza-1-azoniabicyclo[10.3.0]pentadeca-1(12),14-diene; isoindole-1,3-dione; bromide

Systemtic Name: 13-aza-1-azoniabicyclo[10.3.0]pentadeca-1(12),14-diene; isoindole-1,3-dione; bromide Openeye Name: 13-aza-1-azoniabicyclo[10.3.0]pentadeca-1(12),14-diene; isoindoline-1,3-dione; bromide CAS Name: 13-aza-1-azoniabicyclo[10.3.0]pentadeca-1(12),14-diene; isoindole-1,3-dione; bromide IUPAC Name: 13-aza-1-azoniabicyclo[10.3.0]pentadeca-1(12),14-diene; isoindole-1,3-dione; bromide Traditional Name: 13-aza-1-azoniabicyclo[10.3.0]pentadeca-1(12),14-diene; phthalimide; bromide Formula: C21H28BrN3O2 MolecularWeight: 434.36992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCC[N+]2=C(CCCC1)NC=C2.C1=CC=C2C(=C1)C(=O)NC2=O.[Br-]

Isomeric SMILES

C1CCCCC[N+]2=C(CCCC1)NC=C2.C1=CC=C2C(=C1)C(=O)NC2=O.[Br-]

InChI

InChI=1S/C13H22N2.C8H5NO2.BrH/c1-2-4-6-8-11-15-12-10-14-13(15)9-7-5-3-1;10-7-5-3-1-2-4-6(5)8(11)9-7;/h10,12H,1-9,11H2;1-4H,(H,9,10,11);1H