[(2S)-1-azanyl-5-(3-methoxycarbonylphenyl)-1-oxidanylidene-pentan-2-yl]azanium chloride

Systemtic Name: [(2S)-1-azanyl-5-(3-methoxycarbonylphenyl)-1-oxidanylidene-pentan-2-yl]azanium chloride Openeye Name: [(1S)-1-carbamoyl-4-(3-methoxycarbonylphenyl)butyl]ammonium chloride CAS Name: [(2S)-1-amino-5-(3-methoxycarbonylphenyl)-1-oxopentan-2-yl]ammonium chloride IUPAC Name: [(2S)-1-amino-5-(3-methoxycarbonylphenyl)-1-oxopentan-2-yl]azanium chloride Traditional Name: [(1S)-1-carbamoyl-4-(3-carbomethoxyphenyl)butyl]ammonium chloride Formula: C13H19ClN2O3 MolecularWeight: 286.75456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCCC(C(=O)N)[NH3+].[Cl-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CCC[C@@H](C(=O)N)[NH3+].[Cl-]

InChI

InChI=1S/C13H18N2O3.ClH/c1-18-13(17)10-6-2-4-9(8-10)5-3-7-11(14)12(15)16;/h2,4,6,8,11H,3,5,7,14H2,1H3,(H2,15,16);1H/t11-;/m0./s1