[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]-3-pyridin-4-yl-propan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]-3-pyridin-4-yl-propan-2-yl]azanium chloride Openeye Name: [(1S)-2-(benzylamino)-2-oxo-1-(4-pyridylmethyl)ethyl]ammonium chloride CAS Name: [(2S)-1-oxo-1-[(phenylmethyl)amino]-3-pyridin-4-ylpropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-(benzylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]azanium chloride Traditional Name: [(1S)-2-(benzylamino)-2-keto-1-(4-pyridylmethyl)ethyl]ammonium chloride Formula: C15H18ClN3O MolecularWeight: 291.77592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CC2=CC=NC=C2)[NH3+].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@H](CC2=CC=NC=C2)[NH3+].[Cl-]

InChI

InChI=1S/C15H17N3O.ClH/c16-14(10-12-6-8-17-9-7-12)15(19)18-11-13-4-2-1-3-5-13;/h1-9,14H,10-11,16H2,(H,18,19);1H/t14-;/m0./s1