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

Systemtic Name: [(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]azanium chloride Openeye Name: [(1S)-2-[2-(4-hydroxyphenyl)ethylamino]-2-oxo-1-(4-pyridylmethyl)ethyl]ammonium chloride CAS Name: [(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]azanium chloride Traditional Name: [(1S)-2-[2-(4-hydroxyphenyl)ethylamino]-2-keto-1-(4-pyridylmethyl)ethyl]ammonium chloride Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C(CC2=CC=NC=C2)[NH3+])O.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)[C@H](CC2=CC=NC=C2)[NH3+])O.[Cl-]

InChI

InChI=1S/C16H19N3O2.ClH/c17-15(11-13-5-8-18-9-6-13)16(21)19-10-7-12-1-3-14(20)4-2-12;/h1-6,8-9,15,20H,7,10-11,17H2,(H,19,21);1H/t15-;/m0./s1