[(2S)-4-ethoxycarbonyl-3-oxidanylidene-2-(phenylmethyl)-1,2-dihydropyrrol-5-yl]azanium chloride

Systemtic Name: [(2S)-4-ethoxycarbonyl-3-oxidanylidene-2-(phenylmethyl)-1,2-dihydropyrrol-5-yl]azanium chloride Openeye Name: [(2S)-2-benzyl-4-ethoxycarbonyl-3-oxo-1,2-dihydropyrrol-5-yl]ammonium chloride CAS Name: [(2S)-4-ethoxycarbonyl-3-oxo-2-(phenylmethyl)-1,2-dihydropyrrol-5-yl]ammonium chloride IUPAC Name: [(2S)-2-benzyl-4-ethoxycarbonyl-3-oxo-1,2-dihydropyrrol-5-yl]azanium chloride Traditional Name: [(5S)-5-benzyl-3-carbethoxy-4-keto-2-pyrrolin-2-yl]ammonium chloride Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3.ClH/c1-2-19-14(18)11-12(17)10(16-13(11)15)8-9-6-4-3-5-7-9;/h3-7,10,16H,2,8,15H2,1H3;1H/t10-;/m0./s1