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

Systemtic Name: 5-chloranyl-2-(morpholin-4-ium-4-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 5-chloro-2-(morpholin-4-ium-4-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 5-chloro-2-(4-morpholin-4-iumylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 5-chloro-2-(morpholin-4-ium-4-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 5-chloro-2-(morpholin-4-ium-4-ylmethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C13H18ClN2O3+ MolecularWeight: 285.74662

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=O)C3CC=C(CC3C2=O)Cl

Isomeric SMILES

C1COCC[NH+]1CN2C(=O)C3CC=C(CC3C2=O)Cl

InChI

InChI=1S/C13H17ClN2O3/c14-9-1-2-10-11(7-9)13(18)16(12(10)17)8-15-3-5-19-6-4-15/h1,10-11H,2-8H2/p+1