5-chloranyl-2-(2-morpholin-4-ium-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide

Systemtic Name: 5-chloranyl-2-(2-morpholin-4-ium-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide Openeye Name: 5-chloro-2-(2-morpholin-4-ium-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide CAS Name: 5-chloro-2-[2-(4-morpholin-4-iumyl)ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide IUPAC Name: 5-chloro-2-(2-morpholin-4-ium-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione bromide Traditional Name: 5-chloro-2-(2-morpholin-4-ium-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone bromide Formula: C14H20BrClN2O3 MolecularWeight: 379.6772

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=O)C3CC=C(CC3C2=O)Cl.[Br-]

Isomeric SMILES

C1COCC[NH+]1CCN2C(=O)C3CC=C(CC3C2=O)Cl.[Br-]

InChI

InChI=1S/C14H19ClN2O3.BrH/c15-10-1-2-11-12(9-10)14(19)17(13(11)18)4-3-16-5-7-20-8-6-16;/h1,11-12H,2-9H2;1H