(3aS,9bR)-6-chloranyl-9-ethyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one hydrochloride

Systemtic Name: (3aS,9bR)-6-chloranyl-9-ethyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one hydrochloride Openeye Name: (3aS,9bR)-6-chloro-9-ethyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one hydrochloride CAS Name: (3aS,9bR)-6-chloro-9-ethyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one hydrochloride IUPAC Name: (3aS,9bR)-6-chloro-9-ethyl-1,2,3,3a,4,9b-hexahydropyrrolo[3,4-c]isoquinolin-5-one hydrochloride Traditional Name: (3aS,9bR)-6-chloro-9-ethyl-1,2,3,3a,4,9b-hexahydropyrrol[3,4-c]isoquinolin-5-one hydrochloride Formula: C13H16Cl2N2O MolecularWeight: 287.18494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C3CNCC3NC(=O)C2=C(C=C1)Cl.Cl

Isomeric SMILES

CCC1=C2[C@@H]3CNC[C@H]3NC(=O)C2=C(C=C1)Cl.Cl

InChI

InChI=1S/C13H15ClN2O.ClH/c1-2-7-3-4-9(14)12-11(7)8-5-15-6-10(8)16-13(12)17;/h3-4,8,10,15H,2,5-6H2,1H3,(H,16,17);1H/t8-,10-;/m1./s1