(3S,6S,9aR)-6-azanyl-5-oxidanylidene-1,2,3,6,9,9a-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid hydrochloride

Systemtic Name: (3S,6S,9aR)-6-azanyl-5-oxidanylidene-1,2,3,6,9,9a-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid hydrochloride Openeye Name: (3S,6S,9aR)-6-amino-5-oxo-1,2,3,6,9,9a-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid hydrochloride CAS Name: (3S,6S,9aR)-6-amino-5-oxo-1,2,3,6,9,9a-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid hydrochloride IUPAC Name: (3S,6S,9aR)-6-amino-5-oxo-1,2,3,6,9,9a-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid hydrochloride Traditional Name: (3S,6S,9aR)-6-amino-5-keto-1,2,3,6,9,9a-hexahydropyrrol[1,2-a]azepine-3-carboxylic acid hydrochloride Formula: C10H15ClN2O3 MolecularWeight: 246.6907

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2C1CC=CC(C2=O)N)C(=O)O.Cl

Isomeric SMILES

C1C[C@H](N2[C@H]1CC=C[C@@H](C2=O)N)C(=O)O.Cl

InChI

InChI=1S/C10H14N2O3.ClH/c11-7-3-1-2-6-4-5-8(10(14)15)12(6)9(7)13;/h1,3,6-8H,2,4-5,11H2,(H,14,15);1H/t6-,7-,8-;/m0./s1