(2S)-2-azanyl-5-[4-(2-nitrooxyethyl)piperidin-1-yl]-5-oxidanylidene-pentanoic acid hydrochloride

Systemtic Name: (2S)-2-azanyl-5-[4-(2-nitrooxyethyl)piperidin-1-yl]-5-oxidanylidene-pentanoic acid hydrochloride Openeye Name: (2S)-2-amino-5-[4-(2-nitrooxyethyl)-1-piperidyl]-5-oxo-pentanoic acid hydrochloride CAS Name: (2S)-2-amino-5-[4-(2-nitrooxyethyl)-1-piperidinyl]-5-oxopentanoic acid hydrochloride IUPAC Name: (2S)-2-amino-5-[4-(2-nitrooxyethyl)piperidin-1-yl]-5-oxopentanoic acid hydrochloride Traditional Name: (2S)-2-amino-5-keto-5-[4-(2-nitrooxyethyl)piperidino]valeric acid hydrochloride Formula: C12H22ClN3O6 MolecularWeight: 339.77258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCO[N+](=O)[O-])C(=O)CCC(C(=O)O)N.Cl

Isomeric SMILES

C1CN(CCC1CCO[N+](=O)[O-])C(=O)CC[C@@H](C(=O)O)N.Cl

InChI

InChI=1S/C12H21N3O6.ClH/c13-10(12(17)18)1-2-11(16)14-6-3-9(4-7-14)5-8-21-15(19)20;/h9-10H,1-8,13H2,(H,17,18);1H/t10-;/m0./s1