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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1S)-1-phenylethyl]amino]-3-pyridin-4-yl-propan-2-yl]azanium chloride Openeye Name: [(1S)-2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-(4-pyridylmethyl)ethyl]ammonium chloride CAS Name: [(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-pyridin-4-ylpropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-pyridin-4-ylpropan-2-yl]azanium chloride Traditional Name: [(1S)-2-keto-2-[[(1S)-1-phenylethyl]amino]-1-(4-pyridylmethyl)ethyl]ammonium chloride Formula: C16H20ClN3O MolecularWeight: 305.8025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O.ClH/c1-12(14-5-3-2-4-6-14)19-16(20)15(17)11-13-7-9-18-10-8-13;/h2-10,12,15H,11,17H2,1H3,(H,19,20);1H/t12-,15-;/m0./s1