(2S,4S)-1-[(2S)-2-azanyl-3-piperidin-3-yl-propanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: (2S,4S)-1-[(2S)-2-azanyl-3-piperidin-3-yl-propanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: (2S,4S)-1-[(2S)-2-amino-3-(3-piperidyl)propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: (2S,4S)-1-[(2S)-2-amino-1-oxo-3-(3-piperidinyl)propyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: (2S,4S)-1-[(2S)-2-amino-3-piperidin-3-ylpropanoyl]-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: (2S,4S)-1-[(2S)-2-amino-3-(3-piperidyl)propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C13H22ClFN4O MolecularWeight: 304.791383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)CC(C(=O)N2CC(CC2C#N)F)N.Cl

Isomeric SMILES

C1CC(CNC1)C[C@@H](C(=O)N2C[C@H](C[C@H]2C#N)F)N.Cl

InChI

InChI=1S/C13H21FN4O.ClH/c14-10-5-11(6-15)18(8-10)13(19)12(16)4-9-2-1-3-17-7-9;/h9-12,17H,1-5,7-8,16H2;1H/t9?,10-,11-,12-;/m0./s1